#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvm s LYS 4 N 0.00 4.46 0.23 3.69 -2.85 -1.26 -4.98 119.74 119.02 1nvm s LYS 4 Ca 0.00 1.49 -0.20 0.00 -1.00 0.00 0.00 55.97 56.26 1nvm s LYS 4 Cb 0.00 -2.80 -0.08 0.00 -2.06 0.00 0.00 37.83 32.89 1nvm s LYS 4 CO 0.00 0.13 0.74 -0.51 0.10 0.00 0.00 175.35 175.81 1nvm s LEU 5 N -2.12 4.33 0.15 2.77 1.43 -0.21 -4.72 118.68 120.31 1nvm s LEU 5 Ca 0.51 1.44 -0.20 0.00 -1.03 0.00 0.00 54.13 54.85 1nvm s LEU 5 Cb -0.23 -3.64 -0.07 0.00 0.03 0.00 0.00 46.19 42.28 1nvm s LEU 5 CO 0.29 0.01 0.66 -0.54 0.23 0.00 0.00 176.35 177.00 1nvm s LYS 6 N -2.03 4.26 0.18 1.70 1.02 -1.26 -0.58 119.74 123.03 1nvm s LYS 6 Ca 0.44 0.83 0.06 0.00 0.02 0.00 0.00 55.97 57.32 1nvm s LYS 6 Cb -0.16 -3.09 -0.05 0.00 -0.52 0.00 0.00 37.83 34.02 1nvm s LYS 6 CO 0.21 0.53 -0.12 0.14 -0.92 0.00 0.00 175.35 175.18 1nvm s VAL 7 N -1.30 1.45 0.03 3.17 -7.23 -0.82 -0.67 120.40 115.04 1nvm s VAL 7 Ca 0.36 -2.14 0.09 0.00 -1.81 0.00 0.00 61.98 58.48 1nvm s VAL 7 Cb -0.19 -1.95 -0.03 0.00 0.56 0.00 0.00 36.38 34.77 1nvm s VAL 7 CO 0.21 -0.67 -0.25 0.00 -0.31 0.00 0.00 175.10 174.08 1nvm s ALA 8 N -3.15 2.16 -0.15 1.32 0.00 -0.17 -0.28 121.76 121.48 1nvm s ALA 8 Ca 0.20 -1.21 -0.00 0.00 0.00 0.00 0.00 51.96 50.94 1nvm s ALA 8 Cb 0.01 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1nvm s ALA 8 CO 0.04 0.51 -0.13 0.42 0.00 0.00 0.00 175.76 176.60 1nvm s ILE 9 N -0.77 2.99 -0.22 0.00 1.01 -0.76 -0.15 121.20 123.31 1nvm s ILE 9 Ca 0.11 -0.67 -0.07 0.00 0.00 0.00 0.00 60.65 60.02 1nvm s ILE 9 Cb -0.10 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 1nvm s ILE 9 CO 0.02 0.51 0.04 -0.63 0.00 0.00 0.00 174.94 174.88 1nvm s ILE 10 N 0.58 4.25 0.00 2.92 1.01 -0.01 -0.54 121.20 129.42 1nvm s ILE 10 Ca -0.08 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.37 1nvm s ILE 10 Cb -0.16 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.36 1nvm s ILE 10 CO 0.03 0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.97 1nvm n GLY 11 N 4.48 1.11 2.34 6.18 0.00 0.12 0.39 105.19 119.81 1nvm n GLY 11 Ca -0.17 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 1nvm n GLY 11 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nvm n SER 12 N 0.00 6.87 -0.35 1.61 3.41 -1.25 -3.90 113.62 120.01 1nvm n SER 12 Ca 0.00 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 54.83 1nvm n SER 12 Cb 0.00 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 1nvm n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nvm n GLY 13 N -0.80 1.78 0.07 5.00 0.00 -1.26 -3.00 105.19 106.98 1nvm n GLY 13 Ca 0.56 -1.86 -0.11 0.00 0.00 0.00 0.00 46.02 44.60 1nvm n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1nvm h ASN 14 N 0.00 0.11 0.14 1.61 2.35 -1.92 -1.03 115.58 116.83 1nvm h ASN 14 Ca 0.00 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1nvm h ASN 14 Cb 0.00 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1nvm h ASN 14 CO 0.00 0.16 -0.07 0.40 -1.65 0.00 0.00 177.43 176.28 1nvm h ILE 15 N 0.05 1.02 -0.69 2.81 1.08 -1.91 -2.59 117.51 117.29 1nvm h ILE 15 Ca 0.03 -0.80 0.06 0.00 -0.39 0.00 0.00 64.86 63.76 1nvm h ILE 15 Cb 0.08 1.51 -0.06 0.00 -3.07 0.00 0.00 36.82 35.28 1nvm h ILE 15 CO -0.00 0.19 0.39 1.23 -0.69 0.00 0.00 178.15 179.26 1nvm h GLY 16 N -0.57 1.02 1.31 5.37 0.00 -1.67 -0.60 103.07 107.92 1nvm h GLY 16 Ca -0.02 -0.28 -0.18 0.00 0.00 0.00 0.00 47.33 46.86 1nvm h GLY 16 CO 0.03 0.17 -0.57 -0.84 0.00 0.00 0.00 176.54 175.34 1nvm h THR 17 N 0.72 1.30 -0.51 4.70 2.02 -1.27 -1.06 112.91 118.82 1nvm h THR 17 Ca 0.31 -1.78 -0.02 0.00 0.77 0.00 0.00 66.41 65.68 1nvm h THR 17 Cb 0.18 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1nvm h THR 17 CO -0.18 0.57 0.24 -0.78 0.37 0.00 0.00 175.52 175.74 1nvm h ASP 18 N 0.55 0.66 -0.90 4.18 1.82 -1.14 -2.49 116.42 119.10 1nvm h ASP 18 Ca 0.01 -0.13 -0.01 0.00 -0.39 0.00 0.00 57.03 56.51 1nvm h ASP 18 Cb 1.15 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 40.94 1nvm h ASP 18 CO 0.12 0.60 0.54 0.25 -1.61 0.00 0.00 179.24 179.13 1nvm h LEU 19 N 0.67 1.08 -0.20 2.28 5.85 -0.95 -2.36 115.31 121.67 1nvm h LEU 19 Ca 0.17 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1nvm h LEU 19 Cb 0.12 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1nvm h LEU 19 CO -0.02 0.83 0.00 -0.03 -0.34 0.00 0.00 178.44 178.88 1nvm h MET 20 N 1.23 0.07 -0.70 1.25 4.05 -0.76 -0.85 114.93 119.22 1nvm h MET 20 Ca 0.32 -0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.79 1nvm h MET 20 Cb -0.04 -0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 30.68 1nvm h MET 20 CO -0.06 0.05 0.40 0.82 0.23 0.00 0.00 176.91 178.35 1nvm h ILE 21 N 0.07 0.99 -0.77 1.77 1.08 -1.24 -0.60 117.51 118.82 1nvm h ILE 21 Ca 0.10 -0.25 -0.04 0.00 -0.39 0.00 0.00 64.86 64.27 1nvm h ILE 21 Cb 0.12 0.18 -0.03 0.00 -3.07 0.00 0.00 36.82 34.01 1nvm h ILE 21 CO -0.16 0.14 0.30 0.11 -0.69 0.00 0.00 178.15 177.85 1nvm h LYS 22 N 0.74 1.15 0.01 2.37 1.57 -0.95 -1.80 116.57 119.65 1nvm h LYS 22 Ca 0.31 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1nvm h LYS 22 Cb 0.17 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1nvm h LYS 22 CO -0.18 0.93 -0.01 0.28 -0.57 0.00 0.00 179.45 179.91 1nvm h VAL 23 N 1.11 1.03 0.06 0.50 2.07 -0.44 0.75 116.25 121.32 1nvm h VAL 23 Ca 0.26 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.69 1nvm h VAL 23 Cb 0.22 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1nvm h VAL 23 CO -0.02 0.03 -0.31 -0.07 0.02 0.00 0.00 177.57 177.22 1nvm h LEU 24 N -0.06 -0.90 0.03 2.57 3.38 -0.96 -2.59 115.31 116.78 1nvm h LEU 24 Ca -0.00 0.11 -0.24 0.00 0.09 0.00 0.00 57.88 57.84 1nvm h LEU 24 Cb 0.06 0.35 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1nvm h LEU 24 CO 0.00 -0.38 -1.10 0.03 0.09 0.00 0.00 178.44 177.08 1nvm h ARG 25 N -0.49 0.14 0.00 1.13 3.08 -1.25 -3.41 114.38 113.57 1nvm h ARG 25 Ca 0.05 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 59.83 1nvm h ARG 25 Cb 0.55 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1nvm h ARG 25 CO -0.22 1.09 -1.27 0.09 -1.07 0.00 0.00 179.97 178.59 1nvm n ASN 26 N -3.46 3.85 -4.73 7.04 5.03 0.25 -5.03 115.26 118.21 1nvm n ASN 26 Ca -0.04 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 54.99 1nvm n ASN 26 Cb 0.97 0.95 -0.02 0.00 -1.02 0.00 0.00 39.78 40.66 1nvm n ASN 26 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1nvm n ALA 27 N -1.90 2.23 -0.06 5.41 0.00 -0.98 -4.89 120.51 120.33 1nvm n ALA 27 Ca -0.04 0.38 -0.04 0.00 0.00 0.00 0.00 53.44 53.74 1nvm n ALA 27 Cb 0.37 -2.42 -0.11 0.00 0.00 0.00 0.00 19.45 17.28 1nvm n ALA 27 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1nvm n LYS 28 N 2.28 1.53 0.00 0.00 4.81 -1.26 -4.64 118.16 120.88 1nvm n LYS 28 Ca 0.10 -0.03 0.05 0.00 -0.87 0.00 0.00 58.31 57.55 1nvm n LYS 28 Cb 0.35 -1.35 0.01 0.00 0.02 0.00 0.00 35.03 34.07 1nvm n LYS 28 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1nvm n TYR 29 N -2.41 0.00 -4.22 5.64 4.01 -1.26 -4.80 117.16 114.12 1nvm n TYR 29 Ca -0.18 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.42 1nvm n TYR 29 Cb 0.84 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.76 1nvm n TYR 29 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1nvm s LEU 30 N -1.33 2.50 -0.07 7.72 1.43 -1.26 -1.05 118.68 126.63 1nvm s LEU 30 Ca 0.09 -0.96 -0.13 0.00 -1.03 0.00 0.00 54.13 52.10 1nvm s LEU 30 Cb 0.08 -0.29 0.03 0.00 0.03 0.00 0.00 46.19 46.03 1nvm s LEU 30 CO 0.20 -0.34 0.31 -1.83 0.23 0.00 0.00 176.35 174.92 1nvm s GLU 31 N -3.53 0.52 0.27 1.70 -1.05 0.25 -4.71 118.70 112.15 1nvm s GLU 31 Ca 0.13 0.11 -0.30 0.00 -0.15 0.00 0.00 54.97 54.77 1nvm s GLU 31 Cb 0.02 0.24 -0.10 0.00 -0.44 0.00 0.00 34.13 33.84 1nvm s GLU 31 CO -0.01 -0.11 1.45 -1.64 0.95 0.00 0.00 175.26 175.91 1nvm s MET 32 N -0.59 4.24 -0.07 -4.83 -1.94 -1.26 -1.95 119.30 112.89 1nvm s MET 32 Ca -0.07 2.35 0.00 0.00 -1.71 0.00 0.00 55.69 56.27 1nvm s MET 32 Cb -0.04 -3.08 -0.04 0.00 2.01 0.00 0.00 34.83 33.67 1nvm s MET 32 CO 0.02 -0.44 -0.06 0.41 -0.01 0.00 0.00 175.02 174.94 1nvm n GLY 33 N 1.93 -0.10 3.51 -0.03 0.00 0.61 -4.79 105.19 106.33 1nvm n GLY 33 Ca 0.06 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 1nvm n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nvm s ALA 34 N -2.14 -1.76 -0.14 4.61 0.00 -1.05 -4.07 121.76 117.22 1nvm s ALA 34 Ca -0.09 1.19 0.02 0.00 0.00 0.00 0.00 51.96 53.08 1nvm s ALA 34 Cb 0.02 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.25 1nvm s ALA 34 CO 0.16 -0.45 -0.22 1.41 0.00 0.00 0.00 175.76 176.66 1nvm s MET 35 N -1.72 3.02 -0.12 0.00 1.75 -0.03 -1.82 119.30 120.39 1nvm s MET 35 Ca -0.07 -0.85 0.03 0.00 -1.25 0.00 0.00 55.69 53.55 1nvm s MET 35 Cb -0.00 -2.44 0.00 0.00 2.84 0.00 0.00 34.83 35.24 1nvm s MET 35 CO 0.04 -0.01 -0.23 0.08 -0.65 0.00 0.00 175.02 174.25 1nvm s VAL 36 N 0.81 2.04 0.00 10.11 1.01 0.30 -2.66 120.40 132.02 1nvm s VAL 36 Ca -0.07 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.92 1nvm s VAL 36 Cb -0.16 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.44 1nvm s VAL 36 CO -0.02 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1nvm n GLY 37 N 3.78 4.51 0.00 4.51 0.00 -0.43 0.12 105.19 117.69 1nvm n GLY 37 Ca -0.19 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1nvm n GLY 37 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1nvm n ILE 38 N 0.00 0.00 -4.03 -0.61 -5.35 -1.26 -0.83 119.36 107.29 1nvm n ILE 38 Ca 0.00 -0.20 -0.31 0.00 -0.27 0.00 0.00 62.75 61.96 1nvm n ILE 38 Cb 0.00 1.37 -0.15 0.00 -1.74 0.00 0.00 39.64 39.11 1nvm n ILE 38 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1nvm s ASP 39 N -0.16 4.07 0.50 7.28 2.15 -1.26 -4.87 116.67 124.39 1nvm s ASP 39 Ca 0.00 -1.23 0.19 0.00 0.43 0.00 0.00 52.55 51.95 1nvm s ASP 39 Cb 0.00 -1.40 1.27 0.00 -0.30 0.00 0.00 42.92 42.49 1nvm s ASP 39 CO 0.00 -0.19 2.04 0.00 -0.17 0.00 0.00 175.17 176.86 1nvm h ALA 40 N 7.86 2.22 0.00 3.66 0.00 -1.96 -1.01 119.26 130.03 1nvm h ALA 40 Ca -0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1nvm h ALA 40 Cb 1.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1nvm h ALA 40 CO 0.46 -0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.39 1nvm n ALA 41 N -2.58 2.34 -1.68 0.00 0.00 -1.26 -4.87 120.51 112.45 1nvm n ALA 41 Ca 0.05 -0.13 -0.45 0.00 0.00 0.00 0.00 53.44 52.91 1nvm n ALA 41 Cb 0.38 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 1nvm n ALA 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nvm n SER 42 N -1.22 3.39 -0.35 0.00 2.88 -0.39 -4.87 113.62 113.07 1nvm n SER 42 Ca 0.14 1.06 0.04 0.00 -1.33 0.00 0.00 58.87 58.78 1nvm n SER 42 Cb 0.18 -1.46 0.21 0.00 -0.75 0.00 0.00 64.21 62.38 1nvm n SER 42 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1nvm h ASP 43 N 6.65 0.98 -0.28 -3.46 1.82 -1.90 -1.54 116.42 118.69 1nvm h ASP 43 Ca -0.45 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.20 1nvm h ASP 43 Cb 1.24 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 41.04 1nvm h ASP 43 CO 0.91 0.61 0.16 1.23 -1.61 0.00 0.00 179.24 180.55 1nvm h GLY 44 N 1.11 0.46 1.41 -0.78 0.00 -1.86 -0.29 103.07 103.11 1nvm h GLY 44 Ca 0.43 -0.19 -0.14 0.00 0.00 0.00 0.00 47.33 47.43 1nvm h GLY 44 CO -0.18 0.18 -0.41 1.41 0.00 0.00 0.00 176.54 177.55 1nvm h LEU 45 N 0.43 0.69 -1.03 3.11 3.38 -1.50 -1.13 115.31 119.27 1nvm h LEU 45 Ca 0.11 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 1nvm h LEU 45 Cb 0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1nvm h LEU 45 CO -0.02 1.01 -0.34 0.00 0.09 0.00 0.00 178.44 179.18 1nvm h ALA 46 N 1.02 1.18 -0.31 1.53 0.00 -1.19 -0.92 119.26 120.56 1nvm h ALA 46 Ca 0.04 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.41 1nvm h ALA 46 Cb 0.93 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1nvm h ALA 46 CO 0.08 0.54 -0.51 -0.09 0.00 0.00 0.00 179.25 179.28 1nvm h ARG 47 N 0.23 0.88 -0.06 0.00 9.65 -0.81 -2.60 114.38 121.67 1nvm h ARG 47 Ca 0.03 -0.53 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 1nvm h ARG 47 Cb 0.72 0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.35 1nvm h ARG 47 CO 0.05 1.17 0.04 0.00 2.80 0.00 0.00 179.97 184.04 1nvm h ALA 48 N 0.72 0.08 -0.93 2.80 0.00 -1.02 -2.43 119.26 118.48 1nvm h ALA 48 Ca 0.03 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1nvm h ALA 48 Cb 1.11 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1nvm h ALA 48 CO 0.11 -0.42 0.60 1.96 0.00 0.00 0.00 179.25 181.51 1nvm h GLN 49 N 0.07 1.10 0.00 0.00 4.20 -1.07 -0.95 115.11 118.46 1nvm h GLN 49 Ca 0.02 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1nvm h GLN 49 Cb 0.01 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 27.54 1nvm h GLN 49 CO -0.00 0.73 -0.04 -0.09 -0.67 0.00 0.00 178.83 178.75 1nvm h ARG 50 N 1.13 0.00 -0.06 1.46 2.43 -1.22 -1.50 114.38 116.62 1nvm h ARG 50 Ca 0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 1nvm h ARG 50 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1nvm h ARG 50 CO -0.15 0.04 0.00 -1.33 -1.51 0.00 0.00 179.97 177.03 1nvm n MET 51 N -3.65 2.04 -0.73 0.20 2.81 -0.59 -4.94 117.12 112.26 1nvm n MET 51 Ca -0.02 -1.52 0.00 0.00 -1.81 0.00 0.00 57.70 54.34 1nvm n MET 51 Cb 0.14 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 1nvm n MET 51 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1nvm n GLY 52 N 1.28 0.61 3.74 3.03 0.00 -0.56 -5.04 105.19 108.25 1nvm n GLY 52 Ca 0.16 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1nvm n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nvm s VAL 53 N -2.00 4.96 0.26 1.61 1.01 -0.46 -5.00 120.40 120.77 1nvm s VAL 53 Ca 0.00 1.34 -0.31 0.00 0.00 0.00 0.00 61.98 63.02 1nvm s VAL 53 Cb 0.00 -3.99 -0.11 0.00 0.00 0.00 0.00 36.38 32.28 1nvm s VAL 53 CO 0.00 0.34 1.63 -0.89 0.00 0.00 0.00 175.10 176.19 1nvm s THR 54 N 0.26 2.09 0.27 3.92 2.01 -1.26 -3.99 115.64 118.94 1nvm s THR 54 Ca 0.34 0.07 0.07 0.00 0.31 0.00 0.00 61.69 62.48 1nvm s THR 54 Cb -0.18 -3.04 -0.06 0.00 0.01 0.00 0.00 72.50 69.23 1nvm s THR 54 CO 0.18 0.01 -0.07 0.42 -0.69 0.00 0.00 174.62 174.46 1nvm s THR 55 N 0.43 1.68 -0.07 -0.82 -4.23 -1.26 -0.85 115.64 110.53 1nvm s THR 55 Ca 0.67 -2.14 -0.13 0.00 -1.18 0.00 0.00 61.69 58.91 1nvm s THR 55 Cb -0.48 -2.39 0.03 0.00 1.34 0.00 0.00 72.50 70.99 1nvm s THR 55 CO 0.42 -0.34 0.31 0.28 -0.54 0.00 0.00 174.62 174.75 1nvm s THR 56 N -2.99 0.03 -0.23 3.99 -1.32 -1.09 -4.95 115.64 109.08 1nvm s THR 56 Ca 0.29 -0.24 0.16 0.00 -1.21 0.00 0.00 61.69 60.68 1nvm s THR 56 Cb 0.03 -0.53 0.55 0.00 -1.51 0.00 0.00 72.50 71.04 1nvm s THR 56 CO 0.11 -0.13 1.45 0.00 -2.21 0.00 0.00 174.62 173.84 1nvm n TYR 57 N 2.11 1.03 -1.07 9.09 0.18 -1.26 -1.31 117.16 125.93 1nvm n TYR 57 Ca -0.17 -0.85 -0.03 0.00 1.88 0.00 0.00 57.90 58.73 1nvm n TYR 57 Cb 0.57 -0.32 0.30 0.00 -0.38 0.00 0.00 39.34 39.51 1nvm n TYR 57 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1nvm n ALA 58 N -0.35 4.33 -0.84 -3.48 0.00 -1.22 -4.13 120.51 114.81 1nvm n ALA 58 Ca 0.22 -2.38 0.00 0.00 0.00 0.00 0.00 53.44 51.27 1nvm n ALA 58 Cb 0.90 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1nvm n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nvm n GLY 59 N -0.22 0.29 0.27 0.00 0.00 -0.01 -2.23 105.19 103.28 1nvm n GLY 59 Ca 0.37 -0.93 -0.04 0.00 0.00 0.00 0.00 46.02 45.42 1nvm n GLY 59 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1nvm h VAL 60 N 0.00 1.13 -0.67 1.61 3.04 -1.95 -1.39 116.25 118.02 1nvm h VAL 60 Ca 0.00 -0.30 0.14 0.00 -1.01 0.00 0.00 66.70 65.53 1nvm h VAL 60 Cb 0.00 0.18 -0.11 0.00 -2.01 0.00 0.00 31.29 29.36 1nvm h VAL 60 CO 0.00 0.16 0.07 -0.33 -1.01 0.00 0.00 177.57 176.46 1nvm h GLU 61 N 0.87 0.18 -0.45 4.17 3.07 -2.00 0.04 114.58 120.46 1nvm h GLU 61 Ca 0.26 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 59.04 1nvm h GLU 61 Cb -0.04 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 1nvm h GLU 61 CO -0.08 0.12 -0.00 0.78 -1.40 0.00 0.00 179.01 178.42 1nvm h GLY 62 N 0.18 0.79 0.55 -3.84 0.00 -0.82 -3.00 103.07 96.93 1nvm h GLY 62 Ca 0.36 -0.51 0.03 0.00 0.00 0.00 0.00 47.33 47.21 1nvm h GLY 62 CO -0.52 0.47 -0.18 -2.00 0.00 0.00 0.00 176.54 174.32 1nvm h LEU 63 N 0.69 -0.52 -0.94 3.11 5.85 -0.10 -1.21 115.31 122.18 1nvm h LEU 63 Ca 0.14 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.95 1nvm h LEU 63 Cb 0.42 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1nvm h LEU 63 CO 0.02 -0.24 0.62 0.40 -0.34 0.00 0.00 178.44 178.91 1nvm h ILE 64 N -0.28 1.23 0.00 4.05 2.04 -1.37 -1.85 117.51 121.34 1nvm h ILE 64 Ca 0.06 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 1nvm h ILE 64 Cb 0.36 -0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1nvm h ILE 64 CO -0.18 0.23 -0.16 0.11 0.00 0.00 0.00 178.15 178.15 1nvm h LYS 65 N 1.27 0.00 -6.81 2.37 1.57 -1.34 -3.43 116.57 110.20 1nvm h LYS 65 Ca 0.35 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.58 1nvm h LYS 65 Cb -0.13 0.00 0.10 0.00 0.08 0.00 0.00 32.23 32.28 1nvm h LYS 65 CO -0.08 0.16 0.70 1.28 -0.57 0.00 0.00 179.45 180.94 1nvm n LEU 66 N -3.50 4.14 -0.22 2.94 4.77 -0.49 -4.88 117.00 119.77 1nvm n LEU 66 Ca -0.01 1.19 -0.07 0.00 -0.03 0.00 0.00 56.01 57.10 1nvm n LEU 66 Cb 0.31 -1.55 0.03 0.00 -2.33 0.00 0.00 43.42 39.89 1nvm n LEU 66 CO 0.31 -0.10 1.05 1.55 -1.33 0.00 0.00 177.39 178.86 1nvm h PRO 67 N 3.39 0.87 -1.08 3.23 0.13 -1.85 -2.42 132.00 134.27 1nvm h PRO 67 Ca -0.48 -0.12 0.31 0.00 -0.87 0.00 0.00 66.00 64.85 1nvm h PRO 67 Cb 1.25 -0.16 -0.05 0.00 0.13 0.00 0.00 31.00 32.17 1nvm h PRO 67 CO 0.68 0.68 0.77 0.93 -0.23 0.00 0.00 178.00 180.83 1nvm h GLU 68 N 0.83 0.03 -0.52 0.86 3.07 -1.90 -1.07 114.58 115.88 1nvm h GLU 68 Ca 0.21 -0.00 0.13 0.00 -0.50 0.00 0.00 59.36 59.20 1nvm h GLU 68 Cb 0.08 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 1nvm h GLU 68 CO -0.03 0.02 0.37 0.35 -1.40 0.00 0.00 179.01 178.32 1nvm h PHE 69 N 0.03 0.15 -0.19 4.33 3.57 -1.64 -2.53 116.94 120.67 1nvm h PHE 69 Ca 0.52 0.00 0.01 0.00 3.53 0.00 0.00 57.97 62.03 1nvm h PHE 69 Cb 2.02 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.70 1nvm h PHE 69 CO -0.00 0.07 0.12 0.00 -2.23 0.00 0.00 178.31 176.27 1nvm h ALA 70 N 1.74 1.90 -0.44 2.41 0.00 -1.38 -2.16 119.26 121.32 1nvm h ALA 70 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1nvm h ALA 70 Cb 0.80 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1nvm h ALA 70 CO -0.03 0.09 0.00 -0.25 0.00 0.00 0.00 179.25 179.06 1nvm n ASP 71 N -4.51 3.34 -4.64 0.00 8.00 -0.97 -4.95 116.55 112.82 1nvm n ASP 71 Ca -0.00 -1.95 -0.42 0.00 0.71 0.00 0.00 54.79 53.14 1nvm n ASP 71 Cb 0.09 -0.29 -0.05 0.00 -0.02 0.00 0.00 41.12 40.86 1nvm n ASP 71 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nvm s ILE 72 N -1.18 4.86 -0.44 0.53 1.01 -0.82 -4.09 121.20 121.07 1nvm s ILE 72 Ca 0.36 1.50 0.18 0.00 0.00 0.00 0.00 60.65 62.69 1nvm s ILE 72 Cb 0.20 -4.09 -0.24 0.00 0.01 0.00 0.00 42.46 38.34 1nvm s ILE 72 CO 0.27 -0.05 0.59 0.47 0.00 0.00 0.00 174.94 176.21 1nvm n ASP 73 N 5.94 0.79 -3.99 3.58 8.00 0.16 -4.96 116.55 126.06 1nvm n ASP 73 Ca 0.05 -0.46 -0.19 0.00 0.71 0.00 0.00 54.79 54.89 1nvm n ASP 73 Cb 0.48 1.43 -0.15 0.00 -0.02 0.00 0.00 41.12 42.85 1nvm n ASP 73 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1nvm s PHE 74 N -3.00 0.83 -0.12 1.24 0.40 -1.14 -1.68 117.98 114.51 1nvm s PHE 74 Ca 0.00 -0.19 0.03 0.00 -0.60 0.00 0.00 56.93 56.17 1nvm s PHE 74 Cb 0.13 -0.59 0.01 0.00 0.51 0.00 0.00 43.02 43.08 1nvm s PHE 74 CO 0.76 -0.07 -0.21 0.08 0.70 0.00 0.00 175.22 176.48 1nvm s VAL 75 N 0.10 1.89 -0.20 -0.44 1.01 0.25 -1.00 120.40 122.01 1nvm s VAL 75 Ca -0.01 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 1nvm s VAL 75 Cb -0.07 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 1nvm s VAL 75 CO 0.00 0.52 0.12 -0.36 0.00 0.00 0.00 175.10 175.38 1nvm s PHE 76 N 0.72 3.39 -0.42 5.22 0.40 0.79 -1.22 117.98 126.85 1nvm s PHE 76 Ca -0.10 0.29 -0.11 0.00 -0.60 0.00 0.00 56.93 56.41 1nvm s PHE 76 Cb -0.16 -2.15 0.07 0.00 0.51 0.00 0.00 43.02 41.29 1nvm s PHE 76 CO 0.01 0.27 0.28 0.34 0.70 0.00 0.00 175.22 176.82 1nvm s ASP 77 N 0.36 5.77 -0.39 1.36 -1.08 -0.27 -0.83 116.67 121.59 1nvm s ASP 77 Ca 0.07 -1.36 0.05 0.00 -0.52 0.00 0.00 52.55 50.79 1nvm s ASP 77 Cb -0.11 -2.04 0.45 0.00 -1.46 0.00 0.00 42.92 39.76 1nvm s ASP 77 CO -0.02 -0.53 1.36 0.00 0.52 0.00 0.00 175.17 176.51 1nvm n ALA 78 N 5.00 5.31 -1.62 3.66 0.00 0.16 -1.27 120.51 131.74 1nvm n ALA 78 Ca -0.11 -3.78 0.00 0.00 0.00 0.00 0.00 53.44 49.55 1nvm n ALA 78 Cb 0.44 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1nvm n ALA 78 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1nvm n THR 79 N -0.73 0.00 -3.52 0.00 -2.24 -1.22 -4.51 114.28 102.05 1nvm n THR 79 Ca 0.47 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 62.14 1nvm n THR 79 Cb 0.87 -0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 68.51 1nvm n THR 79 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1nvm s SER 80 N -1.00 -0.45 0.25 3.42 0.15 -1.26 -4.57 113.70 110.25 1nvm s SER 80 Ca 0.00 0.29 -0.03 0.00 0.70 0.00 0.00 55.95 56.91 1nvm s SER 80 Cb 0.00 0.41 0.47 0.00 -1.71 0.00 0.00 66.02 65.18 1nvm s SER 80 CO 0.00 -0.55 1.78 0.00 1.20 0.00 0.00 173.24 175.67 1nvm h ALA 81 N 2.40 1.21 -0.13 5.45 0.00 -1.92 -1.85 119.26 124.42 1nvm h ALA 81 Ca -0.23 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1nvm h ALA 81 Cb 1.20 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1nvm h ALA 81 CO 0.33 -0.02 -0.42 0.66 0.00 0.00 0.00 179.25 179.80 1nvm h SER 82 N 0.68 0.31 -0.50 0.00 4.64 -1.98 -3.00 113.55 113.70 1nvm h SER 82 Ca 0.43 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.61 1nvm h SER 82 Cb 0.53 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 1nvm h SER 82 CO -0.31 0.69 0.28 0.00 -0.87 0.00 0.00 176.83 176.62 1nvm h ALA 83 N 1.32 1.51 -0.61 5.18 0.00 -1.76 -3.16 119.26 121.75 1nvm h ALA 83 Ca 0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nvm h ALA 83 Cb 0.84 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1nvm h ALA 83 CO 0.07 0.40 0.38 1.25 0.00 0.00 0.00 179.25 181.35 1nvm h HIS 84 N 0.72 0.79 -0.58 0.00 2.76 -1.32 -1.33 115.15 116.20 1nvm h HIS 84 Ca 0.19 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.30 1nvm h HIS 84 Cb 0.03 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 28.70 1nvm h HIS 84 CO 0.00 0.52 0.09 0.28 -1.30 0.00 0.00 177.93 177.53 1nvm h VAL 85 N 0.84 1.25 -0.37 5.26 2.07 -1.67 0.61 116.25 124.24 1nvm h VAL 85 Ca 0.22 -0.95 -0.14 0.00 0.82 0.00 0.00 66.70 66.66 1nvm h VAL 85 Cb -0.05 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1nvm h VAL 85 CO -0.04 0.35 -0.31 1.56 0.02 0.00 0.00 177.57 179.15 1nvm h GLN 86 N 0.88 0.86 -0.54 1.57 4.20 -1.66 -1.77 115.11 118.66 1nvm h GLN 86 Ca 0.18 -0.43 -0.02 0.00 0.06 0.00 0.00 58.65 58.44 1nvm h GLN 86 Cb 0.38 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1nvm h GLN 86 CO 0.01 1.07 0.26 -0.91 -0.67 0.00 0.00 178.83 178.59 1nvm h ASN 87 N 0.66 0.70 0.04 1.46 2.35 -0.79 -1.83 115.58 118.17 1nvm h ASN 87 Ca 0.07 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1nvm h ASN 87 Cb 0.89 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.08 1nvm h ASN 87 CO 0.08 0.63 -0.02 -0.08 -1.65 0.00 0.00 177.43 176.39 1nvm h GLU 88 N 0.72 -0.06 -0.14 0.81 4.57 -0.80 -1.72 114.58 117.96 1nvm h GLU 88 Ca 0.18 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.39 1nvm h GLU 88 Cb 0.11 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.67 1nvm h GLU 88 CO -0.02 0.00 -0.35 0.00 -1.18 0.00 0.00 179.01 177.46 1nvm h ALA 89 N 0.86 -0.69 -0.54 2.92 0.00 -1.09 0.11 119.26 120.83 1nvm h ALA 89 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1nvm h ALA 89 Cb 0.08 0.89 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1nvm h ALA 89 CO 0.01 -0.83 0.35 -0.07 0.00 0.00 0.00 179.25 178.72 1nvm h LEU 90 N -0.33 0.62 -0.23 0.00 3.38 -1.33 -2.20 115.31 115.21 1nvm h LEU 90 Ca 0.03 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.77 1nvm h LEU 90 Cb 0.41 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1nvm h LEU 90 CO -0.31 0.46 -0.89 -0.07 0.09 0.00 0.00 178.44 177.72 1nvm h LEU 91 N 0.73 0.46 -0.22 1.67 3.38 -0.78 -2.94 115.31 117.61 1nvm h LEU 91 Ca 0.20 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 1nvm h LEU 91 Cb -0.08 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1nvm h LEU 91 CO -0.04 1.15 -0.15 -0.09 0.09 0.00 0.00 178.44 179.40 1nvm h ARG 92 N 0.21 0.49 0.15 1.13 9.65 -0.44 -0.65 114.38 124.93 1nvm h ARG 92 Ca -0.06 -0.24 0.01 0.00 -1.10 0.00 0.00 59.98 58.59 1nvm h ARG 92 Cb 1.52 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 30.06 1nvm h ARG 92 CO 0.15 0.80 -0.40 0.37 2.80 0.00 0.00 179.97 183.68 1nvm h GLN 93 N 0.19 -0.59 -0.37 0.20 4.15 -1.48 -2.51 115.11 114.71 1nvm h GLN 93 Ca 0.04 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1nvm h GLN 93 Cb 0.67 0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.48 1nvm h GLN 93 CO 0.04 -0.39 0.23 0.00 -1.93 0.00 0.00 178.83 176.78 1nvm h ALA 94 N -0.85 1.72 -1.80 3.38 0.00 -1.52 -3.37 119.26 116.83 1nvm h ALA 94 Ca -0.01 -0.03 -0.38 0.00 0.00 0.00 0.00 54.91 54.48 1nvm h ALA 94 Cb 0.60 -0.15 -0.29 0.00 0.00 0.00 0.00 17.79 17.95 1nvm h ALA 94 CO -0.19 0.25 -0.74 0.21 0.00 0.00 0.00 179.25 178.79 1nvm s LYS 95 N -5.43 0.88 0.30 0.00 2.20 -0.25 -5.05 119.74 112.38 1nvm s LYS 95 Ca -0.08 -1.41 0.03 0.00 -0.36 0.00 0.00 55.97 54.16 1nvm s LYS 95 Cb 0.17 -0.77 0.76 0.00 -1.51 0.00 0.00 37.83 36.48 1nvm s LYS 95 CO 0.73 -1.31 1.47 -2.30 -0.36 0.00 0.00 175.35 173.57 1nvm n PRO 96 N 3.29 -0.07 -0.27 4.03 -0.02 -0.95 -0.34 135.00 140.66 1nvm n PRO 96 Ca 0.21 1.40 0.07 0.00 -2.02 0.00 0.00 63.50 63.15 1nvm n PRO 96 Cb 0.50 -2.24 0.20 0.00 -0.02 0.00 0.00 33.50 31.94 1nvm n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nvm n GLY 97 N -1.45 1.28 3.77 -1.23 0.00 -1.26 -4.95 105.19 101.35 1nvm n GLY 97 Ca 0.23 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 1nvm n GLY 97 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nvm s ILE 98 N -1.49 2.54 -0.20 -0.61 2.07 0.54 -4.98 121.20 119.07 1nvm s ILE 98 Ca 0.30 0.52 -0.14 0.00 -1.41 0.00 0.00 60.65 59.92 1nvm s ILE 98 Cb 0.17 -3.32 -0.04 0.00 0.13 0.00 0.00 42.46 39.40 1nvm s ILE 98 CO 0.19 0.10 0.33 -0.13 -1.91 0.00 0.00 174.94 173.52 1nvm s ARG 99 N -2.06 4.16 -0.14 3.50 0.52 -0.68 -4.85 118.95 119.40 1nvm s ARG 99 Ca 0.53 0.08 -0.05 0.00 -0.52 0.00 0.00 55.73 55.78 1nvm s ARG 99 Cb -0.40 -3.52 -0.04 0.00 0.52 0.00 0.00 34.95 31.51 1nvm s ARG 99 CO 0.53 0.02 0.03 -0.51 0.02 0.00 0.00 175.30 175.39 1nvm s LEU 100 N 1.13 3.65 -0.27 2.53 1.02 -0.36 -0.59 118.68 125.80 1nvm s LEU 100 Ca 0.16 0.07 0.03 0.00 0.02 0.00 0.00 54.13 54.42 1nvm s LEU 100 Cb -0.14 -1.89 0.07 0.00 0.02 0.00 0.00 46.19 44.25 1nvm s LEU 100 CO 0.07 0.25 -0.08 -0.63 0.02 0.00 0.00 176.35 175.97 1nvm s ILE 101 N -0.07 2.13 -0.42 -0.59 -1.09 -0.36 -1.48 121.20 119.32 1nvm s ILE 101 Ca 0.05 -1.73 -0.22 0.00 -2.23 0.00 0.00 60.65 56.52 1nvm s ILE 101 Cb -0.12 -2.31 0.02 0.00 -1.58 0.00 0.00 42.46 38.46 1nvm s ILE 101 CO 0.02 -0.14 0.75 -0.62 -1.23 0.00 0.00 174.94 173.72 1nvm s ASP 102 N 1.09 6.43 0.00 3.58 2.15 0.46 -1.12 116.67 129.27 1nvm s ASP 102 Ca -0.05 -0.01 0.26 0.00 0.43 0.00 0.00 52.55 53.18 1nvm s ASP 102 Cb -0.20 -2.37 0.68 0.00 -0.30 0.00 0.00 42.92 40.73 1nvm s ASP 102 CO -0.06 -0.82 1.52 0.18 -0.17 0.00 0.00 175.17 175.82 1nvm n LEU 103 N 6.52 1.56 -4.96 -1.34 4.32 -0.40 -0.65 117.00 122.05 1nvm n LEU 103 Ca 0.02 -0.50 -0.22 0.00 -0.02 0.00 0.00 56.01 55.29 1nvm n LEU 103 Cb 0.48 -0.05 0.03 0.00 -1.62 0.00 0.00 43.42 42.27 1nvm n LEU 103 CO 0.56 0.28 0.37 0.42 -1.22 0.00 0.00 177.39 177.80 1nvm s THR 104 N -2.27 2.93 -1.79 -5.08 -4.23 -1.23 -4.82 115.64 99.16 1nvm s THR 104 Ca 0.28 -0.58 0.05 0.00 -1.18 0.00 0.00 61.69 60.26 1nvm s THR 104 Cb 0.20 -3.11 0.15 0.00 1.34 0.00 0.00 72.50 71.08 1nvm s THR 104 CO 0.44 -0.08 1.06 -0.81 -0.54 0.00 0.00 174.62 174.68 1nvm n PRO 105 N -2.34 1.46 -0.24 3.99 -0.04 -1.26 -4.21 135.00 132.36 1nvm n PRO 105 Ca 0.07 -0.60 0.02 0.00 -0.04 0.00 0.00 63.50 62.94 1nvm n PRO 105 Cb 0.59 -1.22 0.14 0.00 -0.04 0.00 0.00 33.50 32.97 1nvm n PRO 105 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nvm h ALA 106 N 3.14 0.97 -6.02 0.55 0.00 -1.89 -3.44 119.26 112.56 1nvm h ALA 106 Ca 0.00 0.07 -0.40 0.00 0.00 0.00 0.00 54.91 54.58 1nvm h ALA 106 Cb 0.33 -0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.19 1nvm h ALA 106 CO 0.02 -0.10 -0.85 0.00 0.00 0.00 0.00 179.25 178.31 1nvm n ALA 107 N -2.44 -2.17 0.70 0.00 0.00 -1.26 -4.91 120.51 110.44 1nvm n ALA 107 Ca 0.11 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.53 1nvm n ALA 107 Cb 0.30 -2.80 0.21 0.00 0.00 0.00 0.00 19.45 17.16 1nvm n ALA 107 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1nvm n ILE 108 N -4.12 0.24 -3.73 0.00 -5.35 -1.26 -4.83 119.36 100.31 1nvm n ILE 108 Ca -0.24 -0.19 -0.22 0.00 -0.27 0.00 0.00 62.75 61.83 1nvm n ILE 108 Cb 0.66 -0.05 -0.04 0.00 -1.74 0.00 0.00 39.64 38.47 1nvm n ILE 108 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1nvm s GLY 109 N -3.45 2.20 0.76 3.28 0.00 -1.26 -5.05 107.32 103.79 1nvm s GLY 109 Ca 0.08 -1.95 -0.11 0.00 0.00 0.00 0.00 44.72 42.74 1nvm s GLY 109 CO 0.71 -1.77 1.10 2.56 0.00 0.00 0.00 173.10 175.70 1nvm s PRO 110 N -4.07 2.25 0.32 2.90 0.04 -1.25 -4.18 135.00 131.01 1nvm s PRO 110 Ca 0.46 1.25 -0.25 0.00 0.04 0.00 0.00 61.00 62.51 1nvm s PRO 110 Cb -0.01 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.54 1nvm s PRO 110 CO 0.26 -1.66 0.91 0.71 0.04 0.00 0.00 177.00 177.27 1nvm s TYR 111 N -2.76 3.65 -0.08 0.56 2.02 -1.26 -1.13 117.35 118.34 1nvm s TYR 111 Ca 0.63 1.70 -0.00 0.00 -0.37 0.00 0.00 57.07 59.03 1nvm s TYR 111 Cb -0.18 -2.87 0.02 0.00 -0.40 0.00 0.00 41.96 38.53 1nvm s TYR 111 CO 0.53 0.20 -0.04 0.00 -1.57 0.00 0.00 175.55 174.67 1nvm s VAL 113 N 1.58 1.93 0.30 0.00 1.01 -1.26 -4.58 120.40 119.38 1nvm s VAL 113 Ca 0.00 -2.33 0.03 0.00 0.00 0.00 0.00 61.98 59.69 1nvm s VAL 113 Cb -0.13 -2.41 0.33 0.00 0.00 0.00 0.00 36.38 34.17 1nvm s VAL 113 CO -0.05 -0.68 1.63 -0.65 0.00 0.00 0.00 175.10 175.35 1nvm h PRO 114 N 7.44 0.15 0.00 2.72 0.11 -1.89 0.63 132.00 141.15 1nvm h PRO 114 Ca -0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1nvm h PRO 114 Cb 0.99 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1nvm h PRO 114 CO 0.53 0.10 0.00 1.33 -0.21 0.00 0.00 178.00 179.75 1nvm n VAL 115 N -5.28 0.90 -0.12 3.15 0.24 -1.26 -1.99 118.33 113.97 1nvm n VAL 115 Ca 0.23 0.24 -0.19 0.00 -2.04 0.00 0.00 64.34 62.58 1nvm n VAL 115 Cb 0.73 -1.10 -0.10 0.00 -1.47 0.00 0.00 33.84 31.90 1nvm n VAL 115 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1nvm n VAL 116 N -1.96 1.30 -2.74 3.34 0.31 0.04 -4.91 118.33 113.72 1nvm n VAL 116 Ca 0.03 -0.44 -0.01 0.00 -0.01 0.00 0.00 64.34 63.90 1nvm n VAL 116 Cb 0.21 -1.46 0.09 0.00 -0.91 0.00 0.00 33.84 31.77 1nvm n VAL 116 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1nvm n ASN 117 N -3.45 -0.18 -0.26 4.52 6.94 -0.20 -4.95 115.26 117.69 1nvm n ASN 117 Ca -0.42 -2.13 0.06 0.00 -0.02 0.00 0.00 54.58 52.06 1nvm n ASN 117 Cb 0.90 0.19 0.19 0.00 -2.36 0.00 0.00 39.78 38.70 1nvm n ASN 117 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1nvm h LEU 118 N 1.67 0.15 -0.75 -4.53 5.85 -1.55 -1.16 115.31 114.98 1nvm h LEU 118 Ca -0.32 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1nvm h LEU 118 Cb 1.29 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.47 1nvm h LEU 118 CO -0.03 0.02 0.00 -0.33 -0.34 0.00 0.00 178.44 177.76 1nvm h GLU 119 N 0.35 0.00 -0.49 1.25 4.39 -1.92 -3.37 114.58 114.79 1nvm h GLU 119 Ca 0.42 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 60.07 1nvm h GLU 119 Cb 0.70 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 1nvm h GLU 119 CO -0.47 0.00 0.07 1.49 -1.16 0.00 0.00 179.01 178.95 1nvm h GLU 120 N 0.00 0.81 -0.18 2.33 4.81 -1.60 -3.34 114.58 117.40 1nvm h GLU 120 Ca 0.00 -0.22 -0.09 0.00 -0.13 0.00 0.00 59.36 58.92 1nvm h GLU 120 Cb 0.53 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 1nvm h GLU 120 CO 0.00 0.82 -0.26 0.72 -0.73 0.00 0.00 179.01 179.55 1nvm n HIS 121 N -4.42 0.57 0.31 0.92 8.25 -1.26 -4.76 115.22 114.84 1nvm n HIS 121 Ca 0.01 -1.53 0.20 0.00 -0.26 0.00 0.00 57.72 56.14 1nvm n HIS 121 Cb 0.26 -0.37 1.04 0.00 1.12 0.00 0.00 29.99 32.03 1nvm n HIS 121 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1nvm h LEU 122 N 0.98 0.00 -1.55 2.41 3.38 -1.77 -1.86 115.31 116.90 1nvm h LEU 122 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1nvm h LEU 122 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1nvm h LEU 122 CO 0.20 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.36 1nvm n GLY 123 N -0.92 0.63 3.82 0.83 0.00 -1.26 -4.83 105.19 103.46 1nvm n GLY 123 Ca -0.02 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 1nvm n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nvm s LYS 124 N -1.97 4.21 0.00 1.61 3.01 -0.70 -4.98 119.74 120.91 1nvm s LYS 124 Ca 0.32 0.88 0.27 0.00 -1.01 0.00 0.00 55.97 56.43 1nvm s LYS 124 Cb 0.20 -2.67 0.84 0.00 -1.01 0.00 0.00 37.83 35.20 1nvm s LYS 124 CO 0.31 0.27 1.63 1.28 0.51 0.00 0.00 175.35 179.35 1nvm n LEU 125 N 0.24 1.67 -3.43 3.17 4.77 -1.26 -4.69 117.00 117.47 1nvm n LEU 125 Ca 0.01 -0.55 -0.08 0.00 -0.03 0.00 0.00 56.01 55.36 1nvm n LEU 125 Cb 0.52 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.51 1nvm n LEU 125 CO 0.42 0.28 -0.02 0.21 -1.33 0.00 0.00 177.39 176.95 1nvm s ASN 126 N -2.09 0.01 -0.05 -1.43 3.84 -1.25 -1.22 114.94 112.75 1nvm s ASN 126 Ca 0.34 0.48 0.04 0.00 0.21 0.00 0.00 52.86 53.93 1nvm s ASN 126 Cb 0.20 1.24 -0.00 0.00 -0.55 0.00 0.00 41.25 42.14 1nvm s ASN 126 CO 0.36 -0.28 -0.18 -0.69 -2.79 0.00 0.00 177.10 173.52 1nvm s VAL 127 N 2.58 1.54 -0.12 -5.21 1.01 -0.55 -3.97 120.40 115.68 1nvm s VAL 127 Ca 0.09 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 1nvm s VAL 127 Cb -0.14 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1nvm s VAL 127 CO -0.15 0.44 0.10 0.21 0.00 0.00 0.00 175.10 175.70 1nvm s ASN 128 N 0.04 6.05 -0.31 3.32 3.84 -0.28 -0.40 114.94 127.19 1nvm s ASN 128 Ca -0.05 0.35 0.11 0.00 0.21 0.00 0.00 52.86 53.48 1nvm s ASN 128 Cb -0.12 -1.91 0.73 0.00 -0.55 0.00 0.00 41.25 39.39 1nvm s ASN 128 CO 0.03 0.38 1.76 0.23 -2.79 0.00 0.00 177.10 176.71 1nvm n MET 129 N 2.18 3.63 0.00 0.43 2.81 0.18 -1.25 117.12 125.10 1nvm n MET 129 Ca -0.19 -3.09 0.00 0.00 -1.81 0.00 0.00 57.70 52.61 1nvm n MET 129 Cb 0.54 -2.17 0.00 0.00 -0.71 0.00 0.00 33.22 30.88 1nvm n MET 129 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1nvm n VAL 130 N -0.20 0.00 -3.93 2.03 0.31 -1.26 -4.66 118.33 110.62 1nvm n VAL 130 Ca 0.39 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.61 1nvm n VAL 130 Cb 1.33 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 34.24 1nvm n VAL 130 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1nvm s THR 131 N 0.00 0.00 0.13 2.52 -4.23 -1.26 -4.06 115.64 108.74 1nvm s THR 131 Ca 0.00 -1.26 -0.14 0.00 -1.18 0.00 0.00 61.69 59.11 1nvm s THR 131 Cb 0.00 -2.62 -0.02 0.00 1.34 0.00 0.00 72.50 71.19 1nvm s THR 131 CO 0.00 0.00 1.53 0.00 -0.54 0.00 0.00 174.62 175.61 1nvm h GLY 133 N 0.60 0.74 0.94 0.00 0.00 -1.97 -0.68 103.07 102.71 1nvm h GLY 133 Ca 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1nvm h GLY 133 CO 0.04 0.13 0.16 -1.33 0.00 0.00 0.00 176.54 175.55 1nvm h GLY 134 N 0.54 0.54 1.67 4.60 0.00 -1.86 -0.51 103.07 108.05 1nvm h GLY 134 Ca 0.23 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 1nvm h GLY 134 CO -0.15 0.25 -0.04 1.46 0.00 0.00 0.00 176.54 178.06 1nvm h GLN 135 N 0.42 0.41 0.01 4.80 1.08 -0.89 0.96 115.11 121.90 1nvm h GLN 135 Ca 0.12 -0.09 -0.20 0.00 -1.45 0.00 0.00 58.65 57.04 1nvm h GLN 135 Cb 0.13 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 1nvm h GLN 135 CO -0.01 0.47 -0.90 0.00 -0.95 0.00 0.00 178.83 177.44 1nvm h ALA 136 N 1.57 0.51 0.00 3.87 0.00 -0.71 -3.41 119.26 121.09 1nvm h ALA 136 Ca 0.08 -0.77 -0.06 0.00 0.00 0.00 0.00 54.91 54.17 1nvm h ALA 136 Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1nvm h ALA 136 CO 0.01 1.01 -1.49 0.25 0.00 0.00 0.00 179.25 179.03 1nvm n THR 137 N -3.57 0.22 -0.05 0.00 -2.24 -0.24 -4.54 114.28 103.87 1nvm n THR 137 Ca -0.02 -0.27 0.04 0.00 -2.27 0.00 0.00 64.05 61.53 1nvm n THR 137 Cb 0.83 -0.11 0.40 0.00 -2.10 0.00 0.00 70.33 69.36 1nvm n THR 137 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1nvm h ILE 138 N 0.00 1.10 -0.25 2.28 2.04 -1.00 -0.42 117.51 121.26 1nvm h ILE 138 Ca -0.09 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 1nvm h ILE 138 Cb 0.84 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1nvm h ILE 138 CO 0.00 0.11 0.06 -0.65 0.00 0.00 0.00 178.15 177.68 1nvm h PRO 139 N 0.63 0.35 -0.10 2.37 0.11 -1.80 0.12 132.00 133.67 1nvm h PRO 139 Ca 0.19 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 66.05 1nvm h PRO 139 Cb -0.02 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.04 1nvm h PRO 139 CO -0.04 0.33 -0.70 0.52 -0.21 0.00 0.00 178.00 177.89 1nvm h MET 140 N 0.35 0.66 -0.46 1.05 2.86 -1.34 -0.24 114.93 117.81 1nvm h MET 140 Ca 0.09 -0.57 0.02 0.00 -2.06 0.00 0.00 59.70 57.17 1nvm h MET 140 Cb 0.14 0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 1nvm h MET 140 CO -0.00 1.18 0.27 0.28 1.06 0.00 0.00 176.91 179.70 1nvm h VAL 141 N 0.32 1.05 -0.45 -2.22 2.07 -0.74 -1.88 116.25 114.40 1nvm h VAL 141 Ca -0.06 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1nvm h VAL 141 Cb 1.35 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1nvm h VAL 141 CO 0.14 0.10 0.15 0.00 0.02 0.00 0.00 177.57 177.98 1nvm h ALA 142 N 1.20 1.42 -0.38 1.67 0.00 -0.94 0.47 119.26 122.70 1nvm h ALA 142 Ca 0.18 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1nvm h ALA 142 Cb 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1nvm h ALA 142 CO -0.08 0.43 -0.03 0.00 0.00 0.00 0.00 179.25 179.57 1nvm h ALA 143 N 1.52 1.24 -0.02 0.00 0.00 -0.40 -1.83 119.26 119.77 1nvm h ALA 143 Ca 0.15 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1nvm h ALA 143 Cb 0.18 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1nvm h ALA 143 CO -0.01 0.50 -0.36 0.28 0.00 0.00 0.00 179.25 179.66 1nvm h VAL 144 N 0.58 1.49 0.00 0.00 2.07 -0.55 -3.33 116.25 116.50 1nvm h VAL 144 Ca 0.12 -1.93 -0.00 0.00 0.82 0.00 0.00 66.70 65.71 1nvm h VAL 144 Cb 0.42 2.62 -0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1nvm h VAL 144 CO 0.02 0.54 -0.00 0.28 0.02 0.00 0.00 177.57 178.43 1nvm h SER 145 N -0.32 0.00 0.69 0.57 0.02 -0.69 0.89 113.55 114.71 1nvm h SER 145 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1nvm h SER 145 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1nvm h SER 145 CO 0.07 0.00 -0.02 -2.11 -1.14 0.00 0.00 176.83 173.63 1nvm n ARG 146 N -3.73 0.30 -0.11 3.45 1.85 -0.71 -3.44 116.66 114.27 1nvm n ARG 146 Ca -0.03 -0.01 -0.17 0.00 -1.00 0.00 0.00 57.85 56.64 1nvm n ARG 146 Cb 0.08 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 29.90 1nvm n ARG 146 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1nvm n VAL 147 N -1.34 1.24 -3.77 8.89 0.31 0.17 -5.08 118.33 118.74 1nvm n VAL 147 Ca 0.12 -0.44 -0.10 0.00 -0.01 0.00 0.00 64.34 63.91 1nvm n VAL 147 Cb 0.28 -1.39 -0.07 0.00 -0.91 0.00 0.00 33.84 31.76 1nvm n VAL 147 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nvm s ALA 148 N -2.43 -0.51 0.21 3.52 0.00 -0.37 -5.00 121.76 117.18 1nvm s ALA 148 Ca -0.30 -0.34 -0.32 0.00 0.00 0.00 0.00 51.96 51.01 1nvm s ALA 148 Cb 0.09 0.51 -0.11 0.00 0.00 0.00 0.00 23.12 23.60 1nvm s ALA 148 CO 0.47 -0.53 1.66 0.21 0.00 0.00 0.00 175.76 177.57 1nvm s LYS 149 N -3.58 4.15 -0.25 0.00 2.20 -1.26 -4.01 119.74 117.00 1nvm s LYS 149 Ca 0.02 2.53 -0.08 0.00 -0.36 0.00 0.00 55.97 58.09 1nvm s LYS 149 Cb 0.03 -3.09 -0.03 0.00 -1.51 0.00 0.00 37.83 33.23 1nvm s LYS 149 CO -0.10 -0.69 0.08 0.08 -0.36 0.00 0.00 175.35 174.36 1nvm s VAL 150 N 0.97 4.40 0.02 4.02 1.01 -1.26 -0.53 120.40 129.03 1nvm s VAL 150 Ca 0.72 -0.14 -0.10 0.00 0.00 0.00 0.00 61.98 62.45 1nvm s VAL 150 Cb -0.48 -3.06 -0.32 0.00 0.00 0.00 0.00 36.38 32.52 1nvm s VAL 150 CO 0.34 0.33 0.93 0.45 0.00 0.00 0.00 175.10 177.15 1nvm h HIS 151 N 8.22 0.75 -2.58 5.22 -0.00 -1.28 -1.80 115.15 123.67 1nvm h HIS 151 Ca -0.38 -0.54 -0.10 0.00 -0.00 0.00 0.00 60.37 59.34 1nvm h HIS 151 Cb 1.18 -0.03 -0.23 0.00 -0.00 0.00 0.00 27.41 28.33 1nvm h HIS 151 CO 0.68 1.51 -0.15 -0.47 -0.00 0.00 0.00 177.93 179.49 1nvm s TYR 152 N -2.61 -0.51 -0.01 2.45 5.04 -1.08 -3.00 117.35 117.62 1nvm s TYR 152 Ca -0.10 1.24 -0.00 0.00 -2.44 0.00 0.00 57.07 55.77 1nvm s TYR 152 Cb 0.05 0.18 0.01 0.00 0.35 0.00 0.00 41.96 42.55 1nvm s TYR 152 CO 0.90 -0.27 0.02 0.00 -1.34 0.00 0.00 175.55 174.86 1nvm s ALA 153 N 0.14 -0.01 -0.02 3.97 0.00 -0.44 -0.34 121.76 125.06 1nvm s ALA 153 Ca -0.01 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.06 1nvm s ALA 153 Cb -0.03 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.03 1nvm s ALA 153 CO 0.01 -0.03 -0.01 -2.00 0.00 0.00 0.00 175.76 173.73 1nvm s GLU 154 N 0.24 0.26 0.04 0.00 2.12 -0.11 -1.60 118.70 119.64 1nvm s GLU 154 Ca -0.02 -0.00 0.08 0.00 0.36 0.00 0.00 54.97 55.38 1nvm s GLU 154 Cb -0.03 -0.35 -0.03 0.00 0.26 0.00 0.00 34.13 33.98 1nvm s GLU 154 CO -0.01 -0.04 -0.22 0.96 -0.54 0.00 0.00 175.26 175.41 1nvm s ILE 155 N 0.51 1.79 -0.22 -3.70 -5.25 -0.54 -0.55 121.20 113.25 1nvm s ILE 155 Ca -0.05 -1.22 0.01 0.00 -0.99 0.00 0.00 60.65 58.40 1nvm s ILE 155 Cb -0.08 -1.54 0.05 0.00 2.95 0.00 0.00 42.46 43.84 1nvm s ILE 155 CO -0.01 0.27 -0.07 -0.69 -1.79 0.00 0.00 174.94 172.65 1nvm s VAL 156 N -0.77 1.52 -0.22 8.37 1.01 -0.24 -1.22 120.40 128.84 1nvm s VAL 156 Ca 0.09 -1.10 -0.07 0.00 0.00 0.00 0.00 61.98 60.90 1nvm s VAL 156 Cb -0.09 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1nvm s VAL 156 CO 0.02 0.00 0.07 0.00 0.00 0.00 0.00 175.10 175.18 1nvm s ALA 157 N 1.42 3.23 -0.13 5.51 0.00 0.06 -1.11 121.76 130.74 1nvm s ALA 157 Ca -0.04 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 50.95 1nvm s ALA 157 Cb -0.18 -2.01 0.01 0.00 0.00 0.00 0.00 23.12 20.94 1nvm s ALA 157 CO -0.07 -0.25 -0.21 -1.54 0.00 0.00 0.00 175.76 173.68 1nvm s SER 158 N 1.19 3.03 0.19 0.00 1.04 -0.32 -0.86 113.70 117.97 1nvm s SER 158 Ca 0.04 -0.58 0.08 0.00 0.48 0.00 0.00 55.95 55.97 1nvm s SER 158 Cb -0.14 -1.40 -0.04 0.00 0.10 0.00 0.00 66.02 64.53 1nvm s SER 158 CO 0.03 0.08 -0.16 0.27 0.98 0.00 0.00 173.24 174.45 1nvm s ILE 159 N 0.79 1.76 0.32 -1.02 -4.36 -0.52 -1.81 121.20 116.37 1nvm s ILE 159 Ca -0.08 -2.12 -0.29 0.00 -0.26 0.00 0.00 60.65 57.90 1nvm s ILE 159 Cb -0.16 -1.97 -0.10 0.00 1.25 0.00 0.00 42.46 41.48 1nvm s ILE 159 CO -0.01 -0.51 1.34 -0.94 0.24 0.00 0.00 174.94 175.07 1nvm s SER 160 N -3.11 6.72 0.35 4.36 1.04 -1.26 -1.49 113.70 120.31 1nvm s SER 160 Ca 0.20 2.71 0.05 0.00 0.48 0.00 0.00 55.95 59.40 1nvm s SER 160 Cb -0.02 -2.65 0.72 0.00 0.10 0.00 0.00 66.02 64.17 1nvm s SER 160 CO 0.07 -0.59 1.94 0.28 0.98 0.00 0.00 173.24 175.92 1nvm h SER 161 N 3.64 0.70 0.67 7.02 0.02 -1.54 -0.77 113.55 123.28 1nvm h SER 161 Ca -0.49 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1nvm h SER 161 Cb 1.23 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.63 1nvm h SER 161 CO 0.67 0.44 -0.01 0.11 -1.14 0.00 0.00 176.83 176.90 1nvm h LYS 162 N 0.79 0.00 0.00 3.45 1.57 -1.91 -2.50 116.57 117.98 1nvm h LYS 162 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1nvm h LYS 162 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1nvm h LYS 162 CO -0.13 0.01 -0.51 -1.13 -0.57 0.00 0.00 179.45 177.12 1nvm n SER 163 N -3.12 0.51 -4.38 0.86 3.41 -0.30 -4.70 113.62 105.90 1nvm n SER 163 Ca -0.01 -0.12 -0.45 0.00 -0.26 0.00 0.00 58.87 58.03 1nvm n SER 163 Cb 0.23 0.20 -0.06 0.00 -0.26 0.00 0.00 64.21 64.33 1nvm n SER 163 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nvm s ALA 164 N -3.04 3.48 0.99 7.33 0.00 -0.94 -4.92 121.76 124.65 1nvm s ALA 164 Ca 0.10 -2.15 -0.16 0.00 0.00 0.00 0.00 51.96 49.75 1nvm s ALA 164 Cb 0.17 -3.36 0.21 0.00 0.00 0.00 0.00 23.12 20.13 1nvm s ALA 164 CO 0.70 -2.10 1.29 0.20 0.00 0.00 0.00 175.76 175.84 1nvm s GLY 165 N 3.22 1.74 0.39 0.00 0.00 -1.26 -4.81 107.32 106.60 1nvm s GLY 165 Ca 0.10 -1.13 0.13 0.00 0.00 0.00 0.00 44.72 43.82 1nvm s GLY 165 CO 0.07 -0.36 1.86 -2.55 0.00 0.00 0.00 173.10 172.12 1nvm h PRO 166 N -1.75 0.52 -0.32 2.90 0.11 -1.98 -0.22 132.00 131.27 1nvm h PRO 166 Ca -0.45 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 1nvm h PRO 166 Cb 1.25 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1nvm h PRO 166 CO 0.39 0.34 -0.08 0.78 -0.21 0.00 0.00 178.00 179.22 1nvm h GLY 167 N 0.53 0.57 0.80 -0.55 0.00 -1.92 -0.77 103.07 101.74 1nvm h GLY 167 Ca 0.46 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.35 1nvm h GLY 167 CO -0.20 0.35 -0.15 -0.84 0.00 0.00 0.00 176.54 175.70 1nvm h THR 168 N 0.50 1.32 0.00 4.70 2.02 -1.33 -3.12 112.91 117.00 1nvm h THR 168 Ca 0.10 -1.27 -0.02 0.00 0.77 0.00 0.00 66.41 65.98 1nvm h THR 168 Cb 0.45 1.74 -0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1nvm h THR 168 CO 0.02 0.38 -0.11 0.03 0.37 0.00 0.00 175.52 176.22 1nvm h ARG 169 N 0.11 0.00 -0.01 6.66 3.08 -1.15 -1.87 114.38 121.20 1nvm h ARG 169 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1nvm h ARG 169 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1nvm h ARG 169 CO 0.04 0.11 -0.10 0.00 -1.07 0.00 0.00 179.97 178.96 1nvm n ALA 170 N -2.49 2.76 -2.02 0.04 0.00 -0.31 -3.89 120.51 114.59 1nvm n ALA 170 Ca -0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 53.44 53.07 1nvm n ALA 170 Cb 0.19 -1.27 0.11 0.00 0.00 0.00 0.00 19.45 18.47 1nvm n ALA 170 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1nvm n ASN 171 N -0.60 2.24 -0.14 0.00 3.02 -0.71 -4.87 115.26 114.19 1nvm n ASN 171 Ca 0.16 -3.25 -0.07 0.00 -0.03 0.00 0.00 54.58 51.40 1nvm n ASN 171 Cb 0.29 -0.43 0.10 0.00 -0.61 0.00 0.00 39.78 39.13 1nvm n ASN 171 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1nvm h ILE 172 N 3.09 1.26 -0.25 2.41 1.08 -1.65 0.18 117.51 123.62 1nvm h ILE 172 Ca 0.01 -1.12 -0.01 0.00 -0.39 0.00 0.00 64.86 63.36 1nvm h ILE 172 Cb 1.35 0.91 -0.01 0.00 -3.07 0.00 0.00 36.82 35.99 1nvm h ILE 172 CO 0.21 0.39 0.12 0.44 -0.69 0.00 0.00 178.15 178.62 1nvm h ASP 173 N 0.81 0.32 -0.77 1.72 5.19 -1.91 -2.27 116.42 119.52 1nvm h ASP 173 Ca 0.15 -0.12 0.03 0.00 -0.62 0.00 0.00 57.03 56.47 1nvm h ASP 173 Cb 0.54 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 39.93 1nvm h ASP 173 CO 0.03 0.35 0.51 -0.33 -3.12 0.00 0.00 179.24 176.68 1nvm h GLU 174 N 0.27 0.92 0.02 3.56 3.07 -1.90 -1.77 114.58 118.75 1nvm h GLU 174 Ca 0.09 -0.06 0.03 0.00 -0.50 0.00 0.00 59.36 58.92 1nvm h GLU 174 Cb 0.11 -0.21 -0.05 0.00 -0.84 0.00 0.00 28.75 27.77 1nvm h GLU 174 CO -0.01 0.61 -0.28 0.35 -1.40 0.00 0.00 179.01 178.28 1nvm h PHE 175 N 0.95 -0.77 -0.62 4.33 3.57 -0.40 -0.60 116.94 123.41 1nvm h PHE 175 Ca 0.30 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.73 1nvm h PHE 175 Cb 0.04 0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1nvm h PHE 175 CO -0.00 -0.38 0.01 1.79 -2.23 0.00 0.00 178.31 177.50 1nvm h THR 176 N -0.44 1.27 -0.05 4.41 1.35 -0.94 -1.84 112.91 116.67 1nvm h THR 176 Ca 0.06 -1.15 -0.01 0.00 -0.55 0.00 0.00 66.41 64.76 1nvm h THR 176 Cb 0.52 0.78 -0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1nvm h THR 176 CO -0.23 0.42 -0.01 -0.33 -0.25 0.00 0.00 175.52 175.12 1nvm h GLU 177 N 0.99 0.10 -0.25 4.72 5.08 -1.21 -0.77 114.58 123.23 1nvm h GLU 177 Ca 0.18 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.36 1nvm h GLU 177 Cb 0.55 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1nvm h GLU 177 CO 0.03 0.42 -0.43 1.15 -1.00 0.00 0.00 179.01 179.19 1nvm h THR 178 N -0.24 1.30 -0.45 1.13 2.02 -1.14 -1.71 112.91 113.82 1nvm h THR 178 Ca 0.01 -1.61 -0.14 0.00 0.77 0.00 0.00 66.41 65.44 1nvm h THR 178 Cb 0.39 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 1nvm h THR 178 CO 0.00 0.51 -0.28 0.74 0.37 0.00 0.00 175.52 176.87 1nvm h THR 179 N 0.49 1.27 -0.59 3.16 2.02 -1.32 -0.84 112.91 117.10 1nvm h THR 179 Ca 0.04 -1.44 -0.09 0.00 0.77 0.00 0.00 66.41 65.68 1nvm h THR 179 Cb 0.95 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 1nvm h THR 179 CO 0.08 0.49 0.01 0.28 0.37 0.00 0.00 175.52 176.76 1nvm h SER 180 N 0.82 1.00 -0.48 4.18 0.02 -0.99 -0.19 113.55 117.90 1nvm h SER 180 Ca 0.09 -0.27 -0.06 0.00 -0.84 0.00 0.00 61.79 60.71 1nvm h SER 180 Cb 0.86 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 1nvm h SER 180 CO 0.08 1.04 0.06 0.11 -1.14 0.00 0.00 176.83 176.97 1nvm h LYS 181 N 0.94 0.81 -0.16 3.45 1.57 -1.12 -2.92 116.57 119.14 1nvm h LYS 181 Ca 0.17 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 1nvm h LYS 181 Cb 0.52 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1nvm h LYS 181 CO 0.03 0.83 -0.18 0.00 -0.57 0.00 0.00 179.45 179.55 1nvm h ALA 182 N 0.95 1.41 -0.80 3.86 0.00 -0.87 -0.18 119.26 123.63 1nvm h ALA 182 Ca 0.14 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1nvm h ALA 182 Cb 0.43 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1nvm h ALA 182 CO 0.01 0.41 0.53 0.82 0.00 0.00 0.00 179.25 181.02 1nvm h ILE 183 N 0.24 1.18 0.35 0.00 2.04 -0.85 0.27 117.51 120.75 1nvm h ILE 183 Ca 0.05 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1nvm h ILE 183 Cb 0.47 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1nvm h ILE 183 CO 0.03 0.19 -0.17 -0.33 0.00 0.00 0.00 178.15 177.87 1nvm h GLU 184 N 1.06 -0.46 -0.14 2.37 5.08 -1.31 -2.16 114.58 119.03 1nvm h GLU 184 Ca 0.30 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1nvm h GLU 184 Cb -0.08 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1nvm h GLU 184 CO -0.07 -0.30 0.09 0.28 -1.00 0.00 0.00 179.01 178.00 1nvm h VAL 185 N -1.06 1.04 0.01 3.13 2.07 -0.95 -0.26 116.25 120.24 1nvm h VAL 185 Ca -0.05 -0.09 -0.37 0.00 0.82 0.00 0.00 66.70 67.02 1nvm h VAL 185 Cb 0.36 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 1nvm h VAL 185 CO 0.08 0.04 -2.29 -0.38 0.02 0.00 0.00 177.57 175.04 1nvm n ILE 186 N -4.99 1.50 0.15 4.57 2.08 0.05 -4.37 119.36 118.35 1nvm n ILE 186 Ca -0.04 -0.73 0.03 0.00 0.56 0.00 0.00 62.75 62.57 1nvm n ILE 186 Cb 0.03 -1.02 0.09 0.00 -0.75 0.00 0.00 39.64 37.99 1nvm n ILE 186 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1nvm h GLY 187 N 2.89 0.00 0.00 7.39 0.00 -0.98 -3.44 103.07 108.93 1nvm h GLY 187 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1nvm h GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1nvm n GLY 188 N 0.99 0.61 3.77 4.60 0.00 -0.11 -3.19 105.19 111.86 1nvm n GLY 188 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1nvm n GLY 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nvm s ALA 189 N -2.36 3.11 0.31 4.61 0.00 -1.09 -4.59 121.76 121.76 1nvm s ALA 189 Ca 0.00 0.95 0.18 0.00 0.00 0.00 0.00 51.96 53.09 1nvm s ALA 189 Cb 0.00 -3.38 0.88 0.00 0.00 0.00 0.00 23.12 20.62 1nvm s ALA 189 CO 0.00 -0.55 1.85 0.00 0.00 0.00 0.00 175.76 177.07 1nvm h ALA 190 N 2.51 1.23 -3.09 0.00 0.00 -1.43 -3.37 119.26 115.10 1nvm h ALA 190 Ca -0.49 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 53.95 1nvm h ALA 190 Cb 1.24 -0.05 -0.28 0.00 0.00 0.00 0.00 17.79 18.69 1nvm h ALA 190 CO 0.62 0.39 -0.47 0.21 0.00 0.00 0.00 179.25 180.00 1nvm s LYS 191 N -4.00 0.23 0.29 0.00 2.47 -1.16 -5.00 119.74 112.57 1nvm s LYS 191 Ca -0.02 0.44 0.10 0.00 -1.56 0.00 0.00 55.97 54.94 1nvm s LYS 191 Cb 0.13 -0.02 -0.05 0.00 -1.46 0.00 0.00 37.83 36.43 1nvm s LYS 191 CO 0.68 -0.11 -0.15 0.20 0.16 0.00 0.00 175.35 176.13 1nvm s GLY 192 N 0.79 1.92 -0.10 5.54 0.00 -1.26 -1.33 107.32 112.89 1nvm s GLY 192 Ca -0.06 -1.92 -0.10 0.00 0.00 0.00 0.00 44.72 42.64 1nvm s GLY 192 CO -0.05 -1.95 0.28 1.25 0.00 0.00 0.00 173.10 172.63 1nvm s LYS 193 N -3.58 0.35 -0.01 2.90 2.20 -0.63 -4.84 119.74 116.14 1nvm s LYS 193 Ca 0.30 0.33 0.02 0.00 -0.36 0.00 0.00 55.97 56.26 1nvm s LYS 193 Cb -0.01 0.17 -0.01 0.00 -1.51 0.00 0.00 37.83 36.47 1nvm s LYS 193 CO 0.14 -0.05 -0.07 0.00 -0.36 0.00 0.00 175.35 175.01 1nvm s ALA 194 N 0.00 0.62 -0.03 3.13 0.00 -1.26 -1.46 121.76 122.76 1nvm s ALA 194 Ca -0.01 -0.32 0.05 0.00 0.00 0.00 0.00 51.96 51.68 1nvm s ALA 194 Cb -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 1nvm s ALA 194 CO 0.01 0.15 -0.18 0.42 0.00 0.00 0.00 175.76 176.15 1nvm s ILE 195 N -0.16 1.51 -0.04 0.00 1.01 -0.36 -4.74 121.20 118.42 1nvm s ILE 195 Ca 0.03 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 59.94 1nvm s ILE 195 Cb -0.03 -1.28 -0.00 0.00 0.01 0.00 0.00 42.46 41.16 1nvm s ILE 195 CO -0.00 0.43 -0.16 -0.51 0.00 0.00 0.00 174.94 174.70 1nvm s ILE 196 N -0.15 1.36 -0.04 2.92 2.07 -1.26 -0.76 121.20 125.34 1nvm s ILE 196 Ca 0.00 -0.67 0.03 0.00 -1.41 0.00 0.00 60.65 58.60 1nvm s ILE 196 Cb -0.10 -1.17 0.00 0.00 0.13 0.00 0.00 42.46 41.32 1nvm s ILE 196 CO 0.01 0.39 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.67 1nvm s ILE 197 N 0.07 1.16 -0.16 2.00 -1.09 -0.04 -4.96 121.20 118.17 1nvm s ILE 197 Ca -0.04 -0.55 -0.05 0.00 -2.23 0.00 0.00 60.65 57.77 1nvm s ILE 197 Cb -0.11 -1.01 -0.03 0.00 -1.58 0.00 0.00 42.46 39.72 1nvm s ILE 197 CO 0.02 0.34 0.01 -0.04 -1.23 0.00 0.00 174.94 174.04 1nvm s MET 198 N 0.19 3.77 -0.11 2.79 -1.94 -1.26 -1.44 119.30 121.30 1nvm s MET 198 Ca -0.05 -0.43 0.02 0.00 -1.71 0.00 0.00 55.69 53.52 1nvm s MET 198 Cb -0.11 -3.04 0.01 0.00 2.01 0.00 0.00 34.83 33.70 1nvm s MET 198 CO 0.02 0.29 -0.18 1.21 -0.01 0.00 0.00 175.02 176.34 1nvm s ASN 199 N 0.29 2.69 -0.01 3.03 3.84 -0.56 -4.81 114.94 119.40 1nvm s ASN 199 Ca -0.00 -0.49 0.10 0.00 0.21 0.00 0.00 52.86 52.68 1nvm s ASN 199 Cb -0.13 -1.22 0.31 0.00 -0.55 0.00 0.00 41.25 39.65 1nvm s ASN 199 CO 0.02 0.05 1.23 -0.81 -2.79 0.00 0.00 177.10 174.81 1nvm n PRO 200 N 4.05 1.87 -1.50 0.43 -0.04 -1.26 -1.39 135.00 137.17 1nvm n PRO 200 Ca -0.20 -1.24 -0.41 0.00 -0.04 0.00 0.00 63.50 61.62 1nvm n PRO 200 Cb 0.52 -1.31 0.02 0.00 -0.04 0.00 0.00 33.50 32.68 1nvm n PRO 200 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nvm n ALA 201 N 0.48 -0.99 -3.96 0.55 0.00 -1.26 -4.91 120.51 110.42 1nvm n ALA 201 Ca 0.11 0.13 -0.31 0.00 0.00 0.00 0.00 53.44 53.38 1nvm n ALA 201 Cb 0.32 -1.87 -0.15 0.00 0.00 0.00 0.00 19.45 17.75 1nvm n ALA 201 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nvm s GLU 202 N -1.83 1.57 0.18 0.00 0.41 -1.26 -3.08 118.70 114.68 1nvm s GLU 202 Ca 0.65 -1.37 -0.13 0.00 -0.41 0.00 0.00 54.97 53.71 1nvm s GLU 202 Cb -0.55 -2.77 -0.07 0.00 -1.78 0.00 0.00 34.13 28.96 1nvm s GLU 202 CO 0.56 -0.76 0.56 -1.25 -0.49 0.00 0.00 175.26 173.88 1nvm s PRO 203 N 1.21 3.93 0.41 0.39 0.04 -1.26 -5.07 135.00 134.65 1nvm s PRO 203 Ca 0.01 0.44 -0.25 0.00 0.04 0.00 0.00 61.00 61.24 1nvm s PRO 203 Cb -0.19 -2.82 -0.11 0.00 0.04 0.00 0.00 34.50 31.43 1nvm s PRO 203 CO -0.09 0.41 1.09 -2.30 0.04 0.00 0.00 177.00 176.15 1nvm n PRO 204 N 0.46 1.53 -2.78 0.56 -0.02 -1.18 -4.95 135.00 128.61 1nvm n PRO 204 Ca -0.03 0.55 -0.39 0.00 -2.02 0.00 0.00 63.50 61.61 1nvm n PRO 204 Cb 0.52 -2.13 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 1nvm n PRO 204 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1nvm s LEU 205 N -0.82 4.52 0.45 2.45 1.43 -1.26 -4.86 118.68 120.59 1nvm s LEU 205 Ca 0.62 1.88 -0.24 0.00 -1.03 0.00 0.00 54.13 55.36 1nvm s LEU 205 Cb -0.55 -3.75 -0.08 0.00 0.03 0.00 0.00 46.19 41.84 1nvm s LEU 205 CO 0.57 0.07 1.28 -0.51 0.23 0.00 0.00 176.35 178.00 1nvm s ILE 206 N -1.35 2.62 0.25 -0.59 2.07 -1.26 -3.98 121.20 118.96 1nvm s ILE 206 Ca 0.44 0.51 -0.31 0.00 -1.41 0.00 0.00 60.65 59.88 1nvm s ILE 206 Cb -0.23 -3.28 -0.12 0.00 0.13 0.00 0.00 42.46 38.96 1nvm s ILE 206 CO 0.28 0.04 1.56 0.80 -1.91 0.00 0.00 174.94 175.71 1nvm n MET 207 N -0.28 2.47 -4.49 3.50 0.00 -0.95 -4.81 117.12 112.57 1nvm n MET 207 Ca 0.06 0.88 -0.26 0.00 -0.00 0.00 0.00 57.70 58.38 1nvm n MET 207 Cb 0.45 -2.64 -0.13 0.00 0.00 0.00 0.00 33.22 30.90 1nvm n MET 207 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1nvm s ARG 208 N -0.11 1.35 -0.03 2.12 1.81 -0.75 -1.05 118.95 122.29 1nvm s ARG 208 Ca 0.68 -1.14 -0.01 0.00 -1.72 0.00 0.00 55.73 53.55 1nvm s ARG 208 Cb -0.56 -1.61 0.03 0.00 -0.45 0.00 0.00 34.95 32.36 1nvm s ARG 208 CO 0.46 0.39 0.06 -0.51 -0.68 0.00 0.00 175.30 175.01 1nvm s ASP 209 N -1.65 0.18 -0.09 0.23 1.01 -0.90 -1.18 116.67 114.28 1nvm s ASP 209 Ca 0.09 0.10 0.03 0.00 0.71 0.00 0.00 52.55 53.48 1nvm s ASP 209 Cb -0.10 -0.03 -0.01 0.00 1.01 0.00 0.00 42.92 43.80 1nvm s ASP 209 CO 0.04 -0.15 -0.19 -0.89 0.21 0.00 0.00 175.17 174.18 1nvm s THR 210 N 1.25 2.52 -0.15 -1.27 2.01 -0.27 -0.39 115.64 119.35 1nvm s THR 210 Ca -0.07 -0.88 0.02 0.00 0.31 0.00 0.00 61.69 61.07 1nvm s THR 210 Cb -0.13 -1.99 0.01 0.00 0.01 0.00 0.00 72.50 70.41 1nvm s THR 210 CO -0.04 0.56 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.55 1nvm s VAL 211 N 0.04 2.14 -0.15 3.82 1.01 0.48 -1.08 120.40 126.65 1nvm s VAL 211 Ca -0.08 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 1nvm s VAL 211 Cb -0.15 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 1nvm s VAL 211 CO 0.05 0.54 -0.12 -0.31 0.00 0.00 0.00 175.10 175.27 1nvm s TYR 212 N 0.87 2.84 -0.10 5.22 2.02 0.29 -0.36 117.35 128.14 1nvm s TYR 212 Ca -0.05 -0.78 0.02 0.00 -0.37 0.00 0.00 57.07 55.88 1nvm s TYR 212 Cb -0.15 -1.91 0.01 0.00 -0.40 0.00 0.00 41.96 39.51 1nvm s TYR 212 CO -0.03 -0.33 -0.15 0.08 -1.57 0.00 0.00 175.55 173.55 1nvm s VAL 213 N 0.66 1.47 -0.37 0.71 1.01 0.72 -0.94 120.40 123.66 1nvm s VAL 213 Ca -0.06 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 1nvm s VAL 213 Cb -0.15 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 34.90 1nvm s VAL 213 CO 0.02 0.43 0.26 -0.22 0.00 0.00 0.00 175.10 175.59 1nvm s LEU 214 N 0.87 4.77 0.44 3.92 2.96 0.54 -0.89 118.68 131.30 1nvm s LEU 214 Ca -0.09 -0.71 0.05 0.00 -0.22 0.00 0.00 54.13 53.17 1nvm s LEU 214 Cb -0.15 -2.12 -0.06 0.00 0.50 0.00 0.00 46.19 44.36 1nvm s LEU 214 CO 0.00 -0.34 0.03 -0.94 -1.32 0.00 0.00 176.35 173.78 1nvm s SER 215 N 1.68 4.02 0.94 3.68 1.04 0.28 -0.75 113.70 124.57 1nvm s SER 215 Ca 0.05 -1.41 -0.11 0.00 0.48 0.00 0.00 55.95 54.96 1nvm s SER 215 Cb -0.18 -0.15 0.16 0.00 0.10 0.00 0.00 66.02 65.95 1nvm s SER 215 CO 0.09 -0.58 1.11 0.00 0.98 0.00 0.00 173.24 174.84 1nvm s ALA 216 N -2.74 1.24 0.22 5.32 0.00 0.31 -0.43 121.76 125.66 1nvm s ALA 216 Ca 0.28 0.30 -0.30 0.00 0.00 0.00 0.00 51.96 52.23 1nvm s ALA 216 Cb 0.07 -3.34 -0.15 0.00 0.00 0.00 0.00 23.12 19.69 1nvm s ALA 216 CO 0.15 -2.74 1.00 0.00 0.00 0.00 0.00 175.76 174.16 1nvm n ALA 217 N -4.20 -1.01 -3.05 0.00 0.00 -1.26 -4.05 120.51 106.93 1nvm n ALA 217 Ca 0.09 0.44 -0.09 0.00 0.00 0.00 0.00 53.44 53.87 1nvm n ALA 217 Cb 0.53 -1.95 -0.05 0.00 0.00 0.00 0.00 19.45 17.98 1nvm n ALA 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nvm s ALA 218 N -0.65 -0.47 -0.22 0.00 0.00 -1.26 -4.94 121.76 114.21 1nvm s ALA 218 Ca 0.67 -0.58 -0.29 0.00 0.00 0.00 0.00 51.96 51.76 1nvm s ALA 218 Cb -0.82 0.88 -0.00 0.00 0.00 0.00 0.00 23.12 23.18 1nvm s ALA 218 CO 0.56 -0.75 1.21 0.34 0.00 0.00 0.00 175.76 177.12 1nvm s ASP 219 N -2.93 6.91 0.24 0.00 2.15 -1.26 -4.93 116.67 116.85 1nvm s ASP 219 Ca 0.14 1.46 -0.07 0.00 0.43 0.00 0.00 52.55 54.51 1nvm s ASP 219 Cb 0.01 -2.54 0.23 0.00 -0.30 0.00 0.00 42.92 40.32 1nvm s ASP 219 CO -0.00 -0.83 1.89 1.56 -0.17 0.00 0.00 175.17 177.63 1nvm h GLN 220 N 8.29 1.28 -0.72 4.34 4.20 -1.99 -1.79 115.11 128.71 1nvm h GLN 220 Ca -0.24 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.33 1nvm h GLN 220 Cb 1.09 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 28.56 1nvm h GLN 220 CO 0.99 0.89 0.32 0.00 -0.67 0.00 0.00 178.83 180.36 1nvm h ALA 221 N 1.32 1.21 -0.46 3.87 0.00 -1.99 -0.99 119.26 122.22 1nvm h ALA 221 Ca 0.34 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 1nvm h ALA 221 Cb -0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1nvm h ALA 221 CO -0.07 0.59 -0.24 0.00 0.00 0.00 0.00 179.25 179.53 1nvm h ALA 222 N 1.32 0.69 -0.30 0.00 0.00 -1.76 -0.88 119.26 118.33 1nvm h ALA 222 Ca 0.25 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1nvm h ALA 222 Cb 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1nvm h ALA 222 CO -0.03 0.67 0.09 0.28 0.00 0.00 0.00 179.25 180.26 1nvm h VAL 223 N 0.83 1.21 -0.94 0.00 2.07 -1.06 -0.80 116.25 117.56 1nvm h VAL 223 Ca 0.10 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1nvm h VAL 223 Cb 0.82 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 1nvm h VAL 223 CO 0.07 0.23 0.59 0.00 0.02 0.00 0.00 177.57 178.48 1nvm h ALA 224 N 0.92 1.28 -0.52 1.67 0.00 -1.09 0.11 119.26 121.63 1nvm h ALA 224 Ca 0.10 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1nvm h ALA 224 Cb 0.26 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1nvm h ALA 224 CO -0.00 0.64 -0.13 0.00 0.00 0.00 0.00 179.25 179.77 1nvm h ALA 225 N 1.37 0.72 -0.44 0.00 0.00 -1.04 -0.75 119.26 119.12 1nvm h ALA 225 Ca 0.34 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1nvm h ALA 225 Cb -0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1nvm h ALA 225 CO -0.07 0.64 0.15 1.03 0.00 0.00 0.00 179.25 181.00 1nvm h SER 226 N 0.87 0.64 -0.38 0.00 0.87 -0.47 -1.73 113.55 113.35 1nvm h SER 226 Ca 0.13 -0.20 0.02 0.00 -1.23 0.00 0.00 61.79 60.51 1nvm h SER 226 Cb 0.69 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.46 1nvm h SER 226 CO 0.05 0.67 0.21 0.58 -0.53 0.00 0.00 176.83 177.81 1nvm h VAL 227 N 0.58 1.02 -0.91 2.23 2.07 -0.66 -1.04 116.25 119.54 1nvm h VAL 227 Ca 0.14 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1nvm h VAL 227 Cb 0.25 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1nvm h VAL 227 CO -0.01 0.08 0.56 0.00 0.02 0.00 0.00 177.57 178.22 1nvm h ALA 228 N 1.18 1.16 -0.61 1.67 0.00 -0.93 -0.90 119.26 120.82 1nvm h ALA 228 Ca 0.15 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1nvm h ALA 228 Cb 0.03 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1nvm h ALA 228 CO -0.08 0.61 0.13 1.49 0.00 0.00 0.00 179.25 181.39 1nvm h GLU 229 N 1.25 1.00 -0.45 0.00 4.22 -0.90 -1.82 114.58 117.88 1nvm h GLU 229 Ca 0.33 -0.25 -0.11 0.00 0.08 0.00 0.00 59.36 59.40 1nvm h GLU 229 Cb -0.07 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1nvm h GLU 229 CO -0.06 0.92 -0.17 1.98 -2.18 0.00 0.00 179.01 179.49 1nvm h MET 230 N 0.91 0.87 -0.32 1.92 4.05 -0.58 -1.23 114.93 120.54 1nvm h MET 230 Ca 0.19 -0.33 0.02 0.00 -0.28 0.00 0.00 59.70 59.30 1nvm h MET 230 Cb 0.38 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.11 1nvm h MET 230 CO 0.01 0.97 0.16 0.28 0.23 0.00 0.00 176.91 178.56 1nvm h VAL 231 N 0.76 0.99 -0.80 -5.77 2.07 -0.99 -0.08 116.25 112.43 1nvm h VAL 231 Ca 0.11 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1nvm h VAL 231 Cb 0.70 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 1nvm h VAL 231 CO 0.05 0.06 0.49 -0.61 0.02 0.00 0.00 177.57 177.58 1nvm h GLN 232 N 0.34 0.87 -0.32 1.57 4.15 -1.06 0.36 115.11 121.02 1nvm h GLN 232 Ca 0.13 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.52 1nvm h GLN 232 Cb 0.05 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 1nvm h GLN 232 CO -0.09 0.58 0.17 0.00 -1.93 0.00 0.00 178.83 177.56 1nvm h ALA 233 N 1.38 0.39 -0.35 3.38 0.00 -0.28 -2.46 119.26 121.32 1nvm h ALA 233 Ca 0.35 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 1nvm h ALA 233 Cb 0.17 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1nvm h ALA 233 CO -0.17 -0.19 -0.12 0.28 0.00 0.00 0.00 179.25 179.04 1nvm h VAL 234 N 0.36 1.25 0.00 0.00 2.07 -0.56 -2.78 116.25 116.59 1nvm h VAL 234 Ca 0.13 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 1nvm h VAL 234 Cb 0.02 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1nvm h VAL 234 CO -0.07 0.37 -0.01 1.56 0.02 0.00 0.00 177.57 179.44 1nvm h GLN 235 N 0.57 0.00 0.00 1.57 4.20 -0.46 0.27 115.11 121.26 1nvm h GLN 235 Ca 0.10 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 1nvm h GLN 235 Cb 0.54 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1nvm h GLN 235 CO 0.03 0.01 -0.17 0.00 -0.67 0.00 0.00 178.83 178.03 1nvm h ALA 236 N 1.99 1.40 0.01 3.87 0.00 -1.32 -3.03 119.26 122.17 1nvm h ALA 236 Ca -0.00 -0.15 -0.42 0.00 0.00 0.00 0.00 54.91 54.34 1nvm h ALA 236 Cb 0.13 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 1nvm h ALA 236 CO 0.00 0.21 -2.43 0.66 0.00 0.00 0.00 179.25 177.69 1nvm n TYR 237 N -3.87 0.11 -3.82 0.00 4.01 -0.07 -4.87 117.16 108.65 1nvm n TYR 237 Ca -0.02 0.03 -0.30 0.00 -0.16 0.00 0.00 57.90 57.46 1nvm n TYR 237 Cb 0.26 -1.01 -0.14 0.00 -0.31 0.00 0.00 39.34 38.14 1nvm n TYR 237 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1nvm s VAL 238 N -2.51 1.65 0.54 -0.72 1.01 -0.31 -4.96 120.40 115.11 1nvm s VAL 238 Ca -0.36 -2.36 0.21 0.00 0.00 0.00 0.00 61.98 59.48 1nvm s VAL 238 Cb 0.11 -2.19 0.31 0.00 0.00 0.00 0.00 36.38 34.62 1nvm s VAL 238 CO 0.56 -0.76 2.15 -0.65 0.00 0.00 0.00 175.10 176.40 1nvm h PRO 239 N 7.21 0.00 -0.00 2.72 0.11 -1.79 -1.99 132.00 138.25 1nvm h PRO 239 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1nvm h PRO 239 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1nvm h PRO 239 CO 0.52 0.00 -0.00 0.41 -0.21 0.00 0.00 178.00 178.72 1nvm n GLY 240 N -1.49 -1.07 3.69 -0.55 0.00 -1.24 -4.79 105.19 99.74 1nvm n GLY 240 Ca -0.01 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1nvm n GLY 240 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1nvm s TYR 241 N -2.18 3.22 0.14 1.61 6.14 -0.75 -1.23 117.35 124.30 1nvm s TYR 241 Ca 0.42 1.23 -0.25 0.00 0.64 0.00 0.00 57.07 59.11 1nvm s TYR 241 Cb 0.21 -3.42 0.07 0.00 0.42 0.00 0.00 41.96 39.24 1nvm s TYR 241 CO 0.40 -1.30 0.79 -0.98 0.64 0.00 0.00 175.55 175.09 1nvm s ARG 242 N 2.04 1.23 0.31 4.97 1.70 -0.85 -4.74 118.95 123.62 1nvm s ARG 242 Ca 0.56 -0.57 -0.28 0.00 -0.47 0.00 0.00 55.73 54.97 1nvm s ARG 242 Cb -0.25 0.49 -0.09 0.00 -0.57 0.00 0.00 34.95 34.53 1nvm s ARG 242 CO 0.23 -0.55 1.11 -0.51 -1.08 0.00 0.00 175.30 174.50 1nvm s LEU 243 N -2.75 4.44 -0.06 -1.89 1.43 -1.26 -1.30 118.68 117.29 1nvm s LEU 243 Ca 0.07 2.26 0.16 0.00 -1.03 0.00 0.00 54.13 55.59 1nvm s LEU 243 Cb -0.02 -3.76 -0.22 0.00 0.03 0.00 0.00 46.19 42.22 1nvm s LEU 243 CO -0.04 -0.28 0.52 1.17 0.23 0.00 0.00 176.35 177.95 1nvm n LYS 244 N 0.84 0.65 -4.24 1.70 3.00 0.61 -4.80 118.16 115.92 1nvm n LYS 244 Ca 0.00 0.16 -0.14 0.00 -0.00 0.00 0.00 58.31 58.34 1nvm n LYS 244 Cb 0.46 -1.70 -0.10 0.00 0.00 0.00 0.00 35.03 33.68 1nvm n LYS 244 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1nvm s GLN 245 N -2.70 1.10 0.71 1.64 -1.52 -1.19 -5.06 119.66 112.64 1nvm s GLN 245 Ca -0.06 -1.52 -0.14 0.00 -1.95 0.00 0.00 55.36 51.69 1nvm s GLN 245 Cb 0.08 -0.31 0.03 0.00 -0.22 0.00 0.00 33.01 32.58 1nvm s GLN 245 CO 0.83 -0.10 1.13 -0.65 -0.25 0.00 0.00 175.29 176.25 1nvm s GLN 246 N -3.89 2.42 0.27 2.91 -1.52 -1.26 -4.64 119.66 113.95 1nvm s GLN 246 Ca 0.23 1.46 -0.30 0.00 -1.95 0.00 0.00 55.36 54.79 1nvm s GLN 246 Cb 0.06 -1.90 -0.12 0.00 -0.22 0.00 0.00 33.01 30.83 1nvm s GLN 246 CO 0.03 -1.56 1.63 0.08 -0.25 0.00 0.00 175.29 175.23 1nvm s VAL 247 N -2.36 2.04 0.02 1.09 1.01 -1.26 -4.79 120.40 116.15 1nvm s VAL 247 Ca 0.68 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.69 1nvm s VAL 247 Cb -0.22 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1nvm s VAL 247 CO 0.46 0.00 0.08 -1.10 0.00 0.00 0.00 175.10 174.54 1nvm s GLN 248 N -0.11 3.01 0.06 2.72 -1.52 -0.41 -4.97 119.66 118.44 1nvm s GLN 248 Ca 0.66 -0.54 0.05 0.00 -1.95 0.00 0.00 55.36 53.57 1nvm s GLN 248 Cb -0.48 -2.82 -0.03 0.00 -0.22 0.00 0.00 33.01 29.46 1nvm s GLN 248 CO 0.44 0.62 -0.14 -0.06 -0.25 0.00 0.00 175.29 175.91 1nvm s PHE 249 N -1.24 1.18 -0.09 0.91 0.08 -1.26 -0.98 117.98 116.57 1nvm s PHE 249 Ca 0.25 -0.44 -0.03 0.00 0.12 0.00 0.00 56.93 56.82 1nvm s PHE 249 Cb -0.12 -0.67 0.05 0.00 -0.57 0.00 0.00 43.02 41.71 1nvm s PHE 249 CO 0.16 0.04 0.13 -0.51 -0.10 0.00 0.00 175.22 174.94 1nvm s ASP 250 N -1.63 1.16 0.03 1.36 1.11 -0.39 -5.00 116.67 113.31 1nvm s ASP 250 Ca -0.02 0.06 -0.30 0.00 0.18 0.00 0.00 52.55 52.47 1nvm s ASP 250 Cb -0.10 0.08 -0.04 0.00 1.07 0.00 0.00 42.92 43.94 1nvm s ASP 250 CO 0.02 -0.27 1.04 -0.69 1.18 0.00 0.00 175.17 176.45 1nvm s VAL 251 N 2.24 4.61 -0.43 -1.27 1.01 -1.26 -0.38 120.40 124.91 1nvm s VAL 251 Ca 0.04 1.89 -0.12 0.00 0.00 0.00 0.00 61.98 63.79 1nvm s VAL 251 Cb -0.13 -4.21 0.07 0.00 0.00 0.00 0.00 36.38 32.11 1nvm s VAL 251 CO -0.06 0.16 0.30 -0.63 0.00 0.00 0.00 175.10 174.87 1nvm s ILE 252 N 0.95 4.65 0.56 2.22 1.01 -0.37 -4.94 121.20 125.28 1nvm s ILE 252 Ca 0.53 -1.20 -0.20 0.00 0.00 0.00 0.00 60.65 59.79 1nvm s ILE 252 Cb -0.24 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.40 1nvm s ILE 252 CO 0.29 -0.50 1.19 -2.16 0.00 0.00 0.00 174.94 173.75 1nvm s PRO 253 N 1.52 3.17 0.54 2.79 0.04 -1.26 -0.97 135.00 140.84 1nvm s PRO 253 Ca 0.03 1.78 0.27 0.00 0.04 0.00 0.00 61.00 63.12 1nvm s PRO 253 Cb -0.23 -2.01 1.57 0.00 0.04 0.00 0.00 34.50 33.87 1nvm s PRO 253 CO 0.04 -1.03 2.14 1.49 0.04 0.00 0.00 177.00 179.68 1nvm h GLU 254 N 1.12 0.00 0.00 4.56 4.81 -1.95 -0.89 114.58 122.22 1nvm h GLU 254 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1nvm h GLU 254 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1nvm h GLU 254 CO 0.56 0.08 0.00 -1.13 -0.73 0.00 0.00 179.01 177.79 1nvm n SER 255 N -3.76 0.00 -2.89 1.04 3.41 -1.26 -4.19 113.62 105.97 1nvm n SER 255 Ca -0.02 0.07 -0.13 0.00 -0.26 0.00 0.00 58.87 58.53 1nvm n SER 255 Cb 0.18 -0.33 0.01 0.00 -0.26 0.00 0.00 64.21 63.80 1nvm n SER 255 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nvm n ALA 256 N -1.33 -0.23 -1.42 7.33 0.00 -0.35 -5.15 120.51 119.36 1nvm n ALA 256 Ca 0.10 -2.00 -0.31 0.00 0.00 0.00 0.00 53.44 51.23 1nvm n ALA 256 Cb 0.21 -1.18 0.08 0.00 0.00 0.00 0.00 19.45 18.56 1nvm n ALA 256 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1nvm s PRO 257 N 0.14 2.37 0.01 0.00 0.04 -1.18 -4.29 135.00 132.09 1nvm s PRO 257 Ca 0.33 0.95 -0.18 0.00 0.04 0.00 0.00 61.00 62.14 1nvm s PRO 257 Cb 0.20 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.76 1nvm s PRO 257 CO -0.20 -1.50 0.52 -0.51 0.04 0.00 0.00 177.00 175.36 1nvm s LEU 258 N -5.79 4.45 -0.46 -3.56 1.43 0.89 -4.82 118.68 110.83 1nvm s LEU 258 Ca 0.60 1.10 -0.18 0.00 -1.03 0.00 0.00 54.13 54.62 1nvm s LEU 258 Cb -0.16 -2.80 0.04 0.00 0.03 0.00 0.00 46.19 43.30 1nvm s LEU 258 CO 0.55 0.20 0.53 0.21 0.23 0.00 0.00 176.35 178.07 1nvm s ASN 259 N -0.61 6.22 -0.42 2.29 2.47 -1.26 -1.24 114.94 122.39 1nvm s ASN 259 Ca 0.28 -0.75 -0.16 0.00 0.42 0.00 0.00 52.86 52.65 1nvm s ASN 259 Cb -0.18 -2.26 0.02 0.00 -1.45 0.00 0.00 41.25 37.38 1nvm s ASN 259 CO 0.16 -0.72 0.37 -0.63 -3.72 0.00 0.00 177.10 172.56 1nvm s ILE 260 N 2.36 5.17 -0.14 -5.21 1.01 -0.11 -4.99 121.20 119.29 1nvm s ILE 260 Ca 0.14 -0.49 -0.32 0.00 0.00 0.00 0.00 60.65 59.97 1nvm s ILE 260 Cb -0.18 -3.99 -0.10 0.00 0.01 0.00 0.00 42.46 38.21 1nvm s ILE 260 CO 0.13 -0.37 2.02 -0.81 0.00 0.00 0.00 174.94 175.91 1nvm n PRO 261 N 5.39 2.07 -0.36 2.79 -0.04 -1.26 -0.83 135.00 142.75 1nvm n PRO 261 Ca -0.09 0.70 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 1nvm n PRO 261 Cb 0.47 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 1nvm n PRO 261 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nvm n GLY 262 N 5.05 1.66 0.26 0.55 0.00 -1.26 -4.82 105.19 106.63 1nvm n GLY 262 Ca 0.27 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.12 1nvm n GLY 262 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1nvm n LEU 263 N 0.00 2.12 0.00 0.99 7.94 -0.01 -5.13 117.00 122.90 1nvm n LEU 263 Ca 0.00 0.08 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 1nvm n LEU 263 Cb 0.00 -0.58 0.00 0.00 0.53 0.00 0.00 43.42 43.37 1nvm n LEU 263 CO 0.00 0.58 0.00 0.61 -1.11 0.00 0.00 177.39 177.47 1nvm n GLY 264 N 2.22 -0.48 3.21 -3.96 0.00 -0.53 -5.01 105.19 100.64 1nvm n GLY 264 Ca -0.34 -1.54 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 1nvm n GLY 264 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nvm s ARG 265 N -1.93 3.15 0.07 1.61 3.52 -1.26 -0.94 118.95 123.17 1nvm s ARG 265 Ca 0.00 -0.76 0.05 0.00 -0.13 0.00 0.00 55.73 54.89 1nvm s ARG 265 Cb 0.00 -2.70 -0.03 0.00 -1.56 0.00 0.00 34.95 30.66 1nvm s ARG 265 CO 0.00 -0.15 -0.14 -0.06 -0.81 0.00 0.00 175.30 174.14 1nvm s PHE 266 N 1.22 1.19 0.37 5.12 0.40 -0.37 -4.91 117.98 121.00 1nvm s PHE 266 Ca 0.02 -0.45 0.03 0.00 -0.60 0.00 0.00 56.93 55.94 1nvm s PHE 266 Cb -0.14 -0.68 -0.04 0.00 0.51 0.00 0.00 43.02 42.67 1nvm s PHE 266 CO -0.07 0.05 0.10 -1.54 0.70 0.00 0.00 175.22 174.46 1nvm s SER 267 N -1.65 2.56 0.00 1.36 1.04 -1.26 -0.08 113.70 115.66 1nvm s SER 267 Ca -0.02 -1.54 0.00 0.00 0.48 0.00 0.00 55.95 54.87 1nvm s SER 267 Cb -0.10 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1nvm s SER 267 CO 0.02 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.06 1nvm n GLY 268 N -0.80 0.61 2.90 7.32 0.00 -0.15 -4.62 105.19 110.44 1nvm n GLY 268 Ca -0.05 -0.78 -0.17 0.00 0.00 0.00 0.00 46.02 45.03 1nvm n GLY 268 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nvm s LEU 269 N 0.00 1.65 -0.23 0.99 2.96 0.42 -1.24 118.68 123.24 1nvm s LEU 269 Ca 0.00 -0.07 -0.07 0.00 -0.22 0.00 0.00 54.13 53.77 1nvm s LEU 269 Cb 0.00 -0.27 -0.03 0.00 0.50 0.00 0.00 46.19 46.39 1nvm s LEU 269 CO 0.00 -0.01 0.06 -0.75 -1.32 0.00 0.00 176.35 174.34 1nvm s LYS 270 N 0.39 3.73 -0.15 1.98 2.20 0.48 -0.56 119.74 127.81 1nvm s LYS 270 Ca -0.04 -0.45 -0.01 0.00 -0.36 0.00 0.00 55.97 55.11 1nvm s LYS 270 Cb -0.07 -3.28 -0.01 0.00 -1.51 0.00 0.00 37.83 32.95 1nvm s LYS 270 CO -0.01 -0.07 -0.10 0.99 -0.36 0.00 0.00 175.35 175.80 1nvm s THR 271 N 1.28 3.21 -0.20 3.43 2.01 -0.07 -1.27 115.64 124.03 1nvm s THR 271 Ca 0.05 -0.60 -0.01 0.00 0.31 0.00 0.00 61.69 61.44 1nvm s THR 271 Cb -0.15 -2.38 0.01 0.00 0.01 0.00 0.00 72.50 70.00 1nvm s THR 271 CO 0.03 0.50 -0.12 -0.44 -0.69 0.00 0.00 174.62 173.91 1nvm s SER 272 N 0.55 3.71 -0.18 3.53 0.01 -0.15 -0.20 113.70 120.96 1nvm s SER 272 Ca -0.07 -0.53 -0.02 0.00 1.31 0.00 0.00 55.95 56.63 1nvm s SER 272 Cb -0.15 -1.61 -0.01 0.00 0.21 0.00 0.00 66.02 64.46 1nvm s SER 272 CO 0.03 -0.01 -0.08 -0.69 0.41 0.00 0.00 173.24 172.90 1nvm s VAL 273 N 1.38 3.20 -0.37 3.43 1.01 0.52 -1.29 120.40 128.28 1nvm s VAL 273 Ca 0.05 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 1nvm s VAL 273 Cb -0.14 -2.41 0.06 0.00 0.00 0.00 0.00 36.38 33.90 1nvm s VAL 273 CO -0.08 0.47 0.15 -0.36 0.00 0.00 0.00 175.10 175.28 1nvm s PHE 274 N 1.02 3.33 0.26 5.22 0.40 -1.26 -0.39 117.98 126.56 1nvm s PHE 274 Ca -0.00 -1.64 0.07 0.00 -0.60 0.00 0.00 56.93 54.76 1nvm s PHE 274 Cb -0.15 -2.59 -0.03 0.00 0.51 0.00 0.00 43.02 40.76 1nvm s PHE 274 CO -0.01 -0.80 0.20 -0.51 0.70 0.00 0.00 175.22 174.80 1nvm s LEU 275 N 1.36 3.77 0.03 -0.37 1.43 0.48 -0.28 118.68 125.09 1nvm s LEU 275 Ca 0.01 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1nvm s LEU 275 Cb -0.21 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 1nvm s LEU 275 CO 0.01 -0.08 -0.07 -1.83 0.23 0.00 0.00 176.35 174.62 1nvm s GLU 276 N -3.86 0.49 -0.26 1.70 -1.05 -0.42 -2.11 118.70 113.20 1nvm s GLU 276 Ca 0.34 -0.55 -0.01 0.00 -0.15 0.00 0.00 54.97 54.60 1nvm s GLU 276 Cb -0.08 -0.34 0.08 0.00 -0.44 0.00 0.00 34.13 33.35 1nvm s GLU 276 CO 0.25 0.07 0.04 0.08 0.95 0.00 0.00 175.26 176.65 1nvm s VAL 277 N -0.92 1.03 -0.05 1.83 1.01 -0.22 -2.00 120.40 121.09 1nvm s VAL 277 Ca -0.06 -1.18 -0.20 0.00 0.00 0.00 0.00 61.98 60.55 1nvm s VAL 277 Cb -0.07 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 1nvm s VAL 277 CO 0.00 -0.39 0.57 -0.70 0.00 0.00 0.00 175.10 174.58 1nvm s GLU 278 N 1.58 4.33 0.65 2.72 2.12 -0.37 -2.70 118.70 127.03 1nvm s GLU 278 Ca 0.03 0.66 0.01 0.00 0.36 0.00 0.00 54.97 56.02 1nvm s GLU 278 Cb -0.18 -3.38 0.09 0.00 0.26 0.00 0.00 34.13 30.92 1nvm s GLU 278 CO -0.14 0.26 0.90 0.20 -0.54 0.00 0.00 175.26 175.94 1nvm s GLY 279 N 0.19 1.78 0.00 -1.50 0.00 0.90 -3.60 107.32 105.09 1nvm s GLY 279 Ca 0.30 -1.64 0.30 0.00 0.00 0.00 0.00 44.72 43.68 1nvm s GLY 279 CO 0.15 -1.18 2.02 0.00 0.00 0.00 0.00 173.10 174.09 1nvm n ALA 280 N -2.60 2.66 -3.44 3.20 0.00 -1.26 -4.54 120.51 114.52 1nvm n ALA 280 Ca 0.13 -0.24 -0.20 0.00 0.00 0.00 0.00 53.44 53.12 1nvm n ALA 280 Cb 0.60 -1.41 0.07 0.00 0.00 0.00 0.00 19.45 18.71 1nvm n ALA 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nvm n ALA 281 N -0.88 -1.21 0.16 0.00 0.00 -1.26 -4.91 120.51 112.42 1nvm n ALA 281 Ca 0.19 0.32 0.03 0.00 0.00 0.00 0.00 53.44 53.98 1nvm n ALA 281 Cb 0.22 -4.65 0.20 0.00 0.00 0.00 0.00 19.45 15.21 1nvm n ALA 281 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nvm h HIS 282 N -2.31 0.00 0.00 0.00 3.86 -1.91 -3.43 115.15 111.36 1nvm h HIS 282 Ca -0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1nvm h HIS 282 Cb 1.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.79 1nvm h HIS 282 CO 0.43 0.49 0.00 0.98 0.86 0.00 0.00 177.93 180.69 1nvm n TYR 283 N -3.47 -0.95 -2.50 2.45 9.36 -1.26 -4.96 117.16 115.83 1nvm n TYR 283 Ca 0.00 0.17 -0.23 0.00 3.32 0.00 0.00 57.90 61.16 1nvm n TYR 283 Cb 0.62 0.37 0.05 0.00 -0.63 0.00 0.00 39.34 39.75 1nvm n TYR 283 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1nvm s LEU 284 N -6.06 3.14 1.40 2.98 1.02 -1.26 -5.08 118.68 114.82 1nvm s LEU 284 Ca 0.00 0.16 -0.23 0.00 0.02 0.00 0.00 54.13 54.08 1nvm s LEU 284 Cb 0.00 -2.97 0.36 0.00 0.02 0.00 0.00 46.19 43.60 1nvm s LEU 284 CO 0.00 -1.27 0.96 -2.84 0.02 0.00 0.00 176.35 173.21 1nvm s PRO 285 N -4.92 -2.78 0.61 1.29 0.02 -1.26 -4.11 135.00 123.85 1nvm s PRO 285 Ca 0.58 0.07 0.36 0.00 0.02 0.00 0.00 61.00 62.03 1nvm s PRO 285 Cb -0.10 -1.40 1.99 0.00 0.02 0.00 0.00 34.50 35.01 1nvm s PRO 285 CO 0.41 -4.76 2.26 0.00 -0.33 0.00 0.00 177.00 174.57 1nvm h ALA 286 N -3.34 1.24 -0.08 -1.55 0.00 -1.91 -2.41 119.26 111.22 1nvm h ALA 286 Ca -0.43 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1nvm h ALA 286 Cb 1.33 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1nvm h ALA 286 CO 0.28 0.02 0.01 0.10 0.00 0.00 0.00 179.25 179.66 1nvm h TYR 287 N 0.00 0.10 -0.14 0.00 -0.00 -1.89 0.26 116.97 115.30 1nvm h TYR 287 Ca -0.00 -0.00 -0.57 0.00 -0.00 0.00 0.00 58.73 58.16 1nvm h TYR 287 Cb 0.09 -0.03 -0.01 0.00 -0.00 0.00 0.00 36.73 36.77 1nvm h TYR 287 CO 0.00 0.11 2.74 0.00 -0.00 0.00 0.00 178.16 181.01 1nvm n ALA 288 N -2.52 7.23 0.46 0.10 0.00 -0.91 -2.23 120.51 122.65 1nvm n ALA 288 Ca -0.02 -3.21 0.11 0.00 0.00 0.00 0.00 53.44 50.32 1nvm n ALA 288 Cb 0.12 -3.07 0.46 0.00 0.00 0.00 0.00 19.45 16.96 1nvm n ALA 288 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nvm n GLY 289 N 3.10 -1.29 0.22 0.00 0.00 -1.10 -1.90 105.19 104.22 1nvm n GLY 289 Ca 0.69 0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.81 1nvm n GLY 289 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1nvm h ASN 290 N 0.00 0.00 0.00 1.61 -0.00 -1.81 0.18 115.58 115.56 1nvm h ASN 290 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1nvm h ASN 290 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.71 1nvm h ASN 290 CO 0.00 0.22 -0.00 -0.07 -0.00 0.00 0.00 177.43 177.58 1nvm h LEU 291 N 0.00 -0.00 -0.89 6.14 3.38 -1.76 -3.31 115.31 118.86 1nvm h LEU 291 Ca -0.00 -0.63 -0.00 0.00 0.09 0.00 0.00 57.88 57.34 1nvm h LEU 291 Cb 0.39 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1nvm h LEU 291 CO 0.03 0.63 0.54 0.44 0.09 0.00 0.00 178.44 180.17 1nvm h ASP 292 N -0.64 1.07 -0.14 -0.43 5.19 -1.57 -0.68 116.42 119.22 1nvm h ASP 292 Ca -0.00 -0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.33 1nvm h ASP 292 Cb 0.63 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.86 1nvm h ASP 292 CO 0.00 0.81 0.06 -0.29 -3.12 0.00 0.00 179.24 176.70 1nvm h ILE 293 N 1.23 1.09 0.00 0.35 6.09 -1.09 -0.10 117.51 125.08 1nvm h ILE 293 Ca 0.32 -0.32 -0.01 0.00 -1.37 0.00 0.00 64.86 63.48 1nvm h ILE 293 Cb -0.06 0.89 -0.00 0.00 0.47 0.00 0.00 36.82 38.12 1nvm h ILE 293 CO -0.06 0.11 -0.14 -0.03 -3.07 0.00 0.00 178.15 174.96 1nvm h MET 294 N 0.27 0.00 -0.89 2.19 4.05 -1.52 -3.31 114.93 115.72 1nvm h MET 294 Ca 0.07 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.50 1nvm h MET 294 Cb 0.10 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.85 1nvm h MET 294 CO -0.00 0.34 0.59 1.79 0.23 0.00 0.00 176.91 179.85 1nvm h THR 295 N -1.00 1.23 -0.36 -0.77 1.35 -1.01 0.02 112.91 112.37 1nvm h THR 295 Ca -0.02 -0.42 -0.08 0.00 -0.55 0.00 0.00 66.41 65.34 1nvm h THR 295 Cb 0.42 -0.08 -0.02 0.00 -1.73 0.00 0.00 68.15 66.75 1nvm h THR 295 CO -0.01 0.22 -0.11 0.28 -0.25 0.00 0.00 175.52 175.65 1nvm h SER 296 N 1.20 0.61 -0.20 5.36 0.02 -1.22 -0.26 113.55 119.06 1nvm h SER 296 Ca 0.32 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1nvm h SER 296 Cb -0.14 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.23 1nvm h SER 296 CO -0.07 0.76 -0.00 0.00 -1.14 0.00 0.00 176.83 176.38 1nvm h ALA 297 N 1.31 0.27 -0.37 3.77 0.00 -1.48 -0.12 119.26 122.63 1nvm h ALA 297 Ca 0.10 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1nvm h ALA 297 Cb 0.53 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1nvm h ALA 297 CO 0.03 -0.01 0.15 0.00 0.00 0.00 0.00 179.25 179.42 1nvm h ALA 298 N 0.79 0.44 -0.55 0.00 0.00 -0.78 -1.14 119.26 118.02 1nvm h ALA 298 Ca 0.06 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1nvm h ALA 298 Cb 0.40 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1nvm h ALA 298 CO 0.01 -0.23 0.01 1.25 0.00 0.00 0.00 179.25 180.29 1nvm h LEU 299 N 0.32 0.95 -1.32 0.00 5.85 -0.99 -2.14 115.31 117.97 1nvm h LEU 299 Ca 0.17 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 1nvm h LEU 299 Cb 0.12 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1nvm h LEU 299 CO -0.15 1.02 0.10 0.00 -0.34 0.00 0.00 178.44 179.07 1nvm h ALA 300 N 0.96 1.46 0.32 1.25 0.00 -0.57 0.20 119.26 122.89 1nvm h ALA 300 Ca 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1nvm h ALA 300 Cb 0.52 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1nvm h ALA 300 CO 0.03 0.40 -0.15 1.15 0.00 0.00 0.00 179.25 180.67 1nvm h THR 301 N 0.55 0.65 -0.86 0.00 2.02 -0.97 -2.18 112.91 112.13 1nvm h THR 301 Ca 0.13 -0.62 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 1nvm h THR 301 Cb 0.20 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 1nvm h THR 301 CO -0.01 0.11 0.43 0.00 0.37 0.00 0.00 175.52 176.42 1nvm h ALA 302 N -0.29 1.11 -0.63 6.16 0.00 -1.15 -1.70 119.26 122.76 1nvm h ALA 302 Ca -0.04 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.78 1nvm h ALA 302 Cb 0.51 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1nvm h ALA 302 CO 0.07 0.66 0.31 0.93 0.00 0.00 0.00 179.25 181.23 1nvm h GLU 303 N 1.22 0.55 -0.50 0.00 4.39 -0.96 0.21 114.58 119.50 1nvm h GLU 303 Ca 0.30 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.87 1nvm h GLU 303 Cb 0.10 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1nvm h GLU 303 CO -0.04 0.36 -0.04 -0.09 -1.16 0.00 0.00 179.01 178.05 1nvm h ARG 304 N 0.57 0.90 -0.39 2.33 9.65 -1.03 0.32 114.38 126.73 1nvm h ARG 304 Ca 0.30 -0.31 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1nvm h ARG 304 Cb 0.26 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.75 1nvm h ARG 304 CO -0.22 0.95 0.24 0.52 2.80 0.00 0.00 179.97 184.26 1nvm h MET 305 N 0.76 0.53 -0.37 0.20 2.86 -0.83 -1.90 114.93 116.18 1nvm h MET 305 Ca 0.14 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.62 1nvm h MET 305 Cb 0.57 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 1nvm h MET 305 CO 0.03 0.40 -0.19 0.00 1.06 0.00 0.00 176.91 178.21 1nvm h ALA 306 N 1.10 0.96 -0.57 6.32 0.00 -0.30 -0.23 119.26 126.54 1nvm h ALA 306 Ca 0.14 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.75 1nvm h ALA 306 Cb 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1nvm h ALA 306 CO -0.03 0.61 0.31 0.37 0.00 0.00 0.00 179.25 180.51 1nvm h GLN 307 N 0.63 0.58 -0.03 0.00 4.15 -0.10 -1.76 115.11 118.58 1nvm h GLN 307 Ca 0.09 -0.03 -0.23 0.00 0.77 0.00 0.00 58.65 59.25 1nvm h GLN 307 Cb 0.68 -0.13 0.01 0.00 0.21 0.00 0.00 27.48 28.25 1nvm h GLN 307 CO 0.05 0.38 -0.93 0.66 -1.93 0.00 0.00 178.83 177.07 1nvm h SER 308 N 0.60 0.72 -0.80 -0.69 4.64 -1.06 -3.00 113.55 113.95 1nvm h SER 308 Ca 0.25 -0.55 0.10 0.00 -0.47 0.00 0.00 61.79 61.12 1nvm h SER 308 Cb 0.12 -0.22 -0.07 0.00 -0.31 0.00 0.00 62.40 61.92 1nvm h SER 308 CO -0.15 1.34 0.44 0.24 -0.87 0.00 0.00 176.83 177.83 1nvm h MET 309 N 0.34 0.71 0.00 4.77 2.86 -0.90 -3.52 114.93 119.19 1nvm h MET 309 Ca -0.09 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1nvm h MET 309 Cb 1.56 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 33.06 1nvm h MET 309 CO 0.17 0.47 0.00 1.28 1.06 0.00 0.00 176.91 179.90