#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvm s LEU 5 N 0.00 4.19 0.12 -0.35 1.43 -0.39 -4.80 118.68 118.88 1nvm s LEU 5 Ca 0.00 0.91 -0.18 0.00 -1.03 0.00 0.00 54.13 53.84 1nvm s LEU 5 Cb 0.00 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.54 1nvm s LEU 5 CO 0.00 -0.04 0.59 -0.54 0.23 0.00 0.00 176.35 176.58 1nvm s LYS 6 N -2.71 4.14 0.20 1.70 1.02 -1.25 -0.63 119.74 122.21 1nvm s LYS 6 Ca 0.46 0.68 0.08 0.00 0.02 0.00 0.00 55.97 57.20 1nvm s LYS 6 Cb -0.12 -3.08 -0.05 0.00 -0.52 0.00 0.00 37.83 34.07 1nvm s LYS 6 CO 0.21 0.55 -0.15 0.14 -0.92 0.00 0.00 175.35 175.18 1nvm s VAL 7 N -1.29 1.80 0.09 3.17 -7.23 0.14 -1.40 120.40 115.68 1nvm s VAL 7 Ca 0.34 -2.19 0.09 0.00 -1.81 0.00 0.00 61.98 58.41 1nvm s VAL 7 Cb -0.18 -2.03 -0.03 0.00 0.56 0.00 0.00 36.38 34.70 1nvm s VAL 7 CO 0.19 -0.55 -0.23 0.00 -0.31 0.00 0.00 175.10 174.21 1nvm s ALA 8 N -2.81 1.99 -0.16 1.32 0.00 -0.17 0.28 121.76 122.21 1nvm s ALA 8 Ca 0.22 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 50.91 1nvm s ALA 8 Cb -0.02 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.80 1nvm s ALA 8 CO 0.07 0.43 -0.16 0.42 0.00 0.00 0.00 175.76 176.52 1nvm s ILE 9 N -1.03 1.75 -0.26 0.00 1.01 -0.47 -1.01 121.20 121.19 1nvm s ILE 9 Ca 0.09 -0.76 -0.10 0.00 0.00 0.00 0.00 60.65 59.89 1nvm s ILE 9 Cb -0.10 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 1nvm s ILE 9 CO 0.04 0.48 0.15 -0.63 0.00 0.00 0.00 174.94 174.97 1nvm s ILE 10 N 1.41 5.06 0.00 2.92 1.09 0.02 0.10 121.20 131.80 1nvm s ILE 10 Ca 0.05 0.08 0.00 0.00 -1.10 0.00 0.00 60.65 59.68 1nvm s ILE 10 Cb -0.13 -3.38 0.00 0.00 -1.06 0.00 0.00 42.46 37.89 1nvm s ILE 10 CO -0.11 0.31 0.00 0.61 -0.10 0.00 0.00 174.94 175.64 1nvm n GLY 11 N 4.73 1.38 2.65 6.18 0.00 0.10 -0.72 105.19 119.52 1nvm n GLY 11 Ca -0.15 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 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 6.17 -0.21 1.61 3.41 -1.25 -4.22 113.62 119.13 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 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 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 -0.54 1.84 0.14 5.00 0.00 -1.26 -3.33 105.19 107.04 1nvm n GLY 13 Ca 0.47 -1.87 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.23 0.03 1.61 2.35 -1.93 -1.52 115.58 115.89 1nvm h ASN 14 Ca 0.00 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1nvm h ASN 14 Cb 0.00 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1nvm h ASN 14 CO 0.00 -0.00 -0.01 0.40 -1.65 0.00 0.00 177.43 176.16 1nvm h ILE 15 N -0.45 1.13 -0.31 2.81 1.08 -1.91 -1.99 117.51 117.87 1nvm h ILE 15 Ca -0.03 -0.50 0.03 0.00 -0.39 0.00 0.00 64.86 63.97 1nvm h ILE 15 Cb 0.35 1.46 -0.03 0.00 -3.07 0.00 0.00 36.82 35.53 1nvm h ILE 15 CO 0.05 0.13 0.13 1.23 -0.69 0.00 0.00 178.15 178.99 1nvm h GLY 16 N -0.25 0.40 1.10 5.37 0.00 -1.72 -0.76 103.07 107.20 1nvm h GLY 16 Ca -0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 47.33 47.12 1nvm h GLY 16 CO 0.01 0.06 -0.11 -0.84 0.00 0.00 0.00 176.54 175.65 1nvm h THR 17 N 0.28 1.27 -0.70 4.70 2.02 -1.32 0.99 112.91 120.14 1nvm h THR 17 Ca 0.13 -1.28 0.02 0.00 0.77 0.00 0.00 66.41 66.05 1nvm h THR 17 Cb 0.08 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 1nvm h THR 17 CO -0.12 0.45 0.46 -0.78 0.37 0.00 0.00 175.52 175.90 1nvm h ASP 18 N 0.93 0.77 -0.27 4.18 1.82 -1.09 -0.25 116.42 122.50 1nvm h ASP 18 Ca 0.14 -0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.73 1nvm h ASP 18 Cb 0.69 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.50 1nvm h ASP 18 CO 0.05 0.55 0.02 0.25 -1.61 0.00 0.00 179.24 178.50 1nvm h LEU 19 N 0.92 0.46 -0.44 2.28 5.85 -0.90 -1.73 115.31 121.75 1nvm h LEU 19 Ca 0.27 -0.29 0.08 0.00 0.84 0.00 0.00 57.88 58.78 1nvm h LEU 19 Cb -0.06 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 40.78 1nvm h LEU 19 CO -0.08 0.63 0.04 -0.03 -0.34 0.00 0.00 178.44 178.66 1nvm h MET 20 N 0.27 0.15 -0.65 1.25 4.05 -0.34 -0.17 114.93 119.49 1nvm h MET 20 Ca 0.08 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.53 1nvm h MET 20 Cb 0.38 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.11 1nvm h MET 20 CO 0.01 0.10 0.39 0.82 0.23 0.00 0.00 176.91 178.45 1nvm h ILE 21 N 0.15 1.04 -0.77 1.77 2.04 -0.83 -0.92 117.51 120.00 1nvm h ILE 21 Ca 0.22 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1nvm h ILE 21 Cb 0.31 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 1nvm h ILE 21 CO -0.33 0.14 0.39 0.11 0.00 0.00 0.00 178.15 178.45 1nvm h LYS 22 N 0.74 1.09 0.61 2.37 1.57 -0.33 -1.03 116.57 121.59 1nvm h LYS 22 Ca 0.27 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1nvm h LYS 22 Cb 0.07 -0.21 0.01 0.00 0.08 0.00 0.00 32.23 32.18 1nvm h LYS 22 CO -0.13 0.82 -0.29 0.28 -0.57 0.00 0.00 179.45 179.56 1nvm h VAL 23 N 1.09 0.38 -0.19 0.50 2.07 -0.55 0.68 116.25 120.23 1nvm h VAL 23 Ca 0.27 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.76 1nvm h VAL 23 Cb 0.07 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.20 1nvm h VAL 23 CO -0.04 0.01 -0.21 -0.07 0.02 0.00 0.00 177.57 177.28 1nvm h LEU 24 N -0.87 -0.66 -0.03 2.57 3.38 -1.05 -1.84 115.31 116.80 1nvm h LEU 24 Ca -0.08 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1nvm h LEU 24 Cb 0.65 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1nvm h LEU 24 CO 0.14 -0.25 -0.08 0.03 0.09 0.00 0.00 178.44 178.36 1nvm h ARG 25 N -0.23 0.11 -0.00 1.13 3.08 -1.17 -3.42 114.38 113.87 1nvm h ARG 25 Ca 0.12 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1nvm h ARG 25 Cb 0.42 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1nvm h ARG 25 CO -0.33 0.68 -0.12 0.09 -1.07 0.00 0.00 179.97 179.22 1nvm n ASN 26 N -4.70 0.33 -4.74 7.04 3.02 0.22 -5.04 115.26 111.39 1nvm n ASN 26 Ca -0.08 -0.66 -0.41 0.00 -0.03 0.00 0.00 54.58 53.39 1nvm n ASN 26 Cb 0.35 0.84 -0.03 0.00 -0.61 0.00 0.00 39.78 40.33 1nvm n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nvm s ALA 27 N -1.13 3.57 -0.08 5.41 0.00 -0.70 -4.93 121.76 123.90 1nvm s ALA 27 Ca 0.02 1.19 0.09 0.00 0.00 0.00 0.00 51.96 53.26 1nvm s ALA 27 Cb 0.02 -3.51 -0.24 0.00 0.00 0.00 0.00 23.12 19.40 1nvm s ALA 27 CO 0.11 -0.61 0.50 1.63 0.00 0.00 0.00 175.76 177.39 1nvm n LYS 28 N 2.55 0.66 -0.05 0.00 5.02 -1.26 -4.51 118.16 120.57 1nvm n LYS 28 Ca 0.06 0.25 0.04 0.00 -2.02 0.00 0.00 58.31 56.64 1nvm n LYS 28 Cb 0.42 -1.74 0.06 0.00 -0.02 0.00 0.00 35.03 33.75 1nvm n LYS 28 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1nvm n TYR 29 N -3.10 0.14 -4.20 2.13 4.01 -1.26 -4.80 117.16 110.08 1nvm n TYR 29 Ca -0.23 -0.23 -0.14 0.00 -0.16 0.00 0.00 57.90 57.14 1nvm n TYR 29 Cb 1.06 -0.02 -0.11 0.00 -0.31 0.00 0.00 39.34 39.97 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 -0.78 2.44 0.01 7.72 1.43 -1.26 -1.27 118.68 126.96 1nvm s LEU 30 Ca 0.11 -0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 52.23 1nvm s LEU 30 Cb 0.07 -0.32 0.01 0.00 0.03 0.00 0.00 46.19 45.98 1nvm s LEU 30 CO 0.10 -0.28 0.24 -1.83 0.23 0.00 0.00 176.35 174.81 1nvm s GLU 31 N -3.05 0.64 0.26 1.70 -1.05 0.20 -4.74 118.70 112.65 1nvm s GLU 31 Ca 0.09 -0.36 -0.30 0.00 -0.15 0.00 0.00 54.97 54.25 1nvm s GLU 31 Cb -0.01 0.27 -0.11 0.00 -0.44 0.00 0.00 34.13 33.84 1nvm s GLU 31 CO 0.00 -0.18 1.51 -1.64 0.95 0.00 0.00 175.26 175.91 1nvm s MET 32 N -1.68 4.20 0.00 -4.83 -1.94 -1.26 -0.68 119.30 113.10 1nvm s MET 32 Ca -0.12 2.42 0.00 0.00 -1.71 0.00 0.00 55.69 56.29 1nvm s MET 32 Cb -0.05 -3.07 0.00 0.00 2.01 0.00 0.00 34.83 33.72 1nvm s MET 32 CO 0.01 -0.52 0.00 0.41 -0.01 0.00 0.00 175.02 174.91 1nvm n GLY 33 N 2.25 0.00 3.64 -0.03 0.00 0.14 -4.72 105.19 106.47 1nvm n GLY 33 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.97 -1.94 -0.22 4.61 0.00 -0.74 -4.19 121.76 117.31 1nvm s ALA 34 Ca 0.00 1.94 -0.06 0.00 0.00 0.00 0.00 51.96 53.85 1nvm s ALA 34 Cb 0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 23.12 21.71 1nvm s ALA 34 CO 0.00 -0.27 0.01 1.41 0.00 0.00 0.00 175.76 176.92 1nvm s MET 35 N 0.35 3.58 -0.14 0.00 1.75 -0.24 -1.37 119.30 123.22 1nvm s MET 35 Ca 0.02 -0.53 0.01 0.00 -1.25 0.00 0.00 55.69 53.94 1nvm s MET 35 Cb -0.05 -3.15 -0.00 0.00 2.84 0.00 0.00 34.83 34.47 1nvm s MET 35 CO -0.05 -0.10 -0.16 0.08 -0.65 0.00 0.00 175.02 174.14 1nvm s VAL 36 N 1.31 2.64 0.04 10.11 1.01 0.12 -2.45 120.40 133.17 1nvm s VAL 36 Ca 0.04 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1nvm s VAL 36 Cb -0.15 -2.10 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 1nvm s VAL 36 CO 0.01 0.52 0.02 0.61 0.00 0.00 0.00 175.10 176.27 1nvm n GLY 37 N 3.87 3.98 0.00 4.51 0.00 0.57 0.03 105.19 118.15 1nvm n GLY 37 Ca -0.19 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.09 0.00 -3.97 -0.61 -5.35 -1.26 -1.52 119.36 106.56 1nvm n ILE 38 Ca -0.00 -0.32 -0.30 0.00 -0.27 0.00 0.00 62.75 61.86 1nvm n ILE 38 Cb 0.07 1.28 -0.16 0.00 -1.74 0.00 0.00 39.64 39.09 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 3.49 0.54 7.28 2.15 -1.26 -4.88 116.67 123.84 1nvm s ASP 39 Ca 0.00 -0.96 0.26 0.00 0.43 0.00 0.00 52.55 52.28 1nvm s ASP 39 Cb 0.00 -1.19 1.43 0.00 -0.30 0.00 0.00 42.92 42.85 1nvm s ASP 39 CO 0.00 -0.18 2.00 0.00 -0.17 0.00 0.00 175.17 176.83 1nvm h ALA 40 N 7.98 2.40 -0.51 3.66 0.00 -1.95 -0.86 119.26 129.98 1nvm h ALA 40 Ca -0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1nvm h ALA 40 Cb 1.09 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1nvm h ALA 40 CO 0.45 -0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.09 1nvm n ALA 41 N -2.59 2.95 -1.80 0.00 0.00 -1.26 -4.86 120.51 112.95 1nvm n ALA 41 Ca 0.09 -1.21 -0.41 0.00 0.00 0.00 0.00 53.44 51.90 1nvm n ALA 41 Cb 0.57 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.98 1nvm n ALA 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nvm s SER 42 N -0.81 6.46 0.28 0.00 0.15 -0.33 -4.89 113.70 114.56 1nvm s SER 42 Ca 0.40 2.88 -0.02 0.00 0.70 0.00 0.00 55.95 59.91 1nvm s SER 42 Cb 0.25 -2.64 0.44 0.00 -1.71 0.00 0.00 66.02 62.37 1nvm s SER 42 CO 0.19 -0.83 1.91 -0.78 1.20 0.00 0.00 173.24 174.93 1nvm h ASP 43 N 4.56 0.99 -0.54 5.45 1.82 -1.91 -1.94 116.42 124.86 1nvm h ASP 43 Ca -0.47 -0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.12 1nvm h ASP 43 Cb 1.22 -0.22 -0.03 0.00 0.68 0.00 0.00 39.33 40.99 1nvm h ASP 43 CO 0.76 0.66 0.20 1.23 -1.61 0.00 0.00 179.24 180.48 1nvm h GLY 44 N 1.14 0.92 1.40 -0.78 0.00 -1.88 0.38 103.07 104.25 1nvm h GLY 44 Ca 0.39 -0.49 -0.13 0.00 0.00 0.00 0.00 47.33 47.10 1nvm h GLY 44 CO -0.13 0.46 -0.34 1.41 0.00 0.00 0.00 176.54 177.94 1nvm h LEU 45 N 0.84 0.70 -0.41 3.11 3.38 -1.60 0.21 115.31 121.54 1nvm h LEU 45 Ca 0.19 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 1nvm h LEU 45 Cb 0.22 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1nvm h LEU 45 CO -0.01 0.98 -0.13 0.00 0.09 0.00 0.00 178.44 179.36 1nvm h ALA 46 N 1.06 0.56 -0.38 1.53 0.00 -0.90 0.31 119.26 121.44 1nvm h ALA 46 Ca 0.06 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1nvm h ALA 46 Cb 0.85 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1nvm h ALA 46 CO 0.07 0.47 -0.06 -0.09 0.00 0.00 0.00 179.25 179.64 1nvm h ARG 47 N 0.62 0.62 -0.41 0.00 9.65 0.04 -1.50 114.38 123.40 1nvm h ARG 47 Ca 0.10 -0.17 -0.09 0.00 -1.10 0.00 0.00 59.98 58.72 1nvm h ARG 47 Cb 0.67 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.17 1nvm h ARG 47 CO 0.05 0.69 -0.09 0.00 2.80 0.00 0.00 179.97 183.41 1nvm h ALA 48 N 1.36 0.56 -0.42 2.80 0.00 -0.29 -2.79 119.26 120.47 1nvm h ALA 48 Ca 0.11 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1nvm h ALA 48 Cb 0.46 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1nvm h ALA 48 CO 0.02 0.43 0.24 1.96 0.00 0.00 0.00 179.25 181.91 1nvm h GLN 49 N 0.61 0.48 0.00 0.00 4.20 -0.55 -1.26 115.11 118.58 1nvm h GLN 49 Ca 0.10 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1nvm h GLN 49 Cb 0.62 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 1nvm h GLN 49 CO 0.04 0.32 -0.07 0.00 -0.67 0.00 0.00 178.83 178.44 1nvm h ARG 50 N 0.49 0.00 -0.32 1.46 3.08 -1.22 -2.03 114.38 115.83 1nvm h ARG 50 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1nvm h ARG 50 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1nvm h ARG 50 CO -0.09 0.07 0.00 -1.33 -1.07 0.00 0.00 179.97 177.56 1nvm n MET 51 N -3.52 2.22 -2.78 0.04 2.81 -0.57 -4.95 117.12 110.37 1nvm n MET 51 Ca -0.02 -1.85 -0.06 0.00 -1.81 0.00 0.00 57.70 53.96 1nvm n MET 51 Cb 0.20 -1.46 0.02 0.00 -0.71 0.00 0.00 33.22 31.26 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 1.37 0.55 3.49 3.03 0.00 -0.76 -5.06 105.19 107.80 1nvm n GLY 52 Ca 0.18 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.07 3.77 0.31 1.61 1.01 -0.62 -5.03 120.40 118.38 1nvm s VAL 53 Ca 0.15 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 1nvm s VAL 53 Cb -0.07 -2.64 -0.12 0.00 0.00 0.00 0.00 36.38 33.56 1nvm s VAL 53 CO 0.19 0.51 1.42 0.41 0.00 0.00 0.00 175.10 177.63 1nvm n THR 54 N 3.43 1.52 -4.40 3.92 -1.04 -1.26 -4.19 114.28 112.26 1nvm n THR 54 Ca -0.18 -0.38 -0.20 0.00 -2.04 0.00 0.00 64.05 61.26 1nvm n THR 54 Cb 0.53 -1.70 -0.10 0.00 -1.82 0.00 0.00 70.33 67.23 1nvm n THR 54 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1nvm s THR 55 N -0.60 1.30 -0.17 12.58 -4.23 -1.26 -1.08 115.64 122.18 1nvm s THR 55 Ca 0.60 -2.06 -0.25 0.00 -1.18 0.00 0.00 61.69 58.80 1nvm s THR 55 Cb -0.56 -2.51 0.06 0.00 1.34 0.00 0.00 72.50 70.83 1nvm s THR 55 CO 0.56 -0.22 0.65 0.28 -0.54 0.00 0.00 174.62 175.35 1nvm s THR 56 N -3.24 0.00 -0.18 3.99 -1.32 -1.03 -4.96 115.64 108.92 1nvm s THR 56 Ca 0.31 -0.03 0.17 0.00 -1.21 0.00 0.00 61.69 60.93 1nvm s THR 56 Cb 0.06 -0.94 0.39 0.00 -1.51 0.00 0.00 72.50 70.50 1nvm s THR 56 CO 0.12 -0.01 1.27 0.00 -2.21 0.00 0.00 174.62 173.79 1nvm n TYR 57 N 2.00 0.45 -1.09 9.09 0.18 -1.26 -0.32 117.16 126.22 1nvm n TYR 57 Ca -0.16 -0.90 -0.19 0.00 1.88 0.00 0.00 57.90 58.53 1nvm n TYR 57 Cb 0.56 -0.22 0.20 0.00 -0.38 0.00 0.00 39.34 39.50 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 -0.90 5.25 -0.92 -3.48 0.00 -1.22 -4.10 120.51 115.13 1nvm n ALA 58 Ca 0.18 -2.64 0.00 0.00 0.00 0.00 0.00 53.44 50.98 1nvm n ALA 58 Cb 0.73 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.85 0.23 0.15 0.00 0.00 -0.58 -1.44 105.19 102.71 1nvm n GLY 59 Ca 0.53 -0.92 -0.01 0.00 0.00 0.00 0.00 46.02 45.62 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 1.41 -0.69 1.61 3.04 -1.96 -2.19 116.25 117.46 1nvm h VAL 60 Ca 0.00 -1.96 0.04 0.00 -1.01 0.00 0.00 66.70 63.77 1nvm h VAL 60 Cb 0.00 2.04 -0.05 0.00 -2.01 0.00 0.00 31.29 31.28 1nvm h VAL 60 CO 0.00 0.56 0.42 -0.33 -1.01 0.00 0.00 177.57 177.22 1nvm h GLU 61 N 0.03 0.79 -0.59 4.17 3.07 -2.00 0.28 114.58 120.32 1nvm h GLU 61 Ca -0.01 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1nvm h GLU 61 Cb 1.02 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 28.72 1nvm h GLU 61 CO 0.08 0.52 0.38 0.78 -1.40 0.00 0.00 179.01 179.37 1nvm h GLY 62 N 0.82 0.85 0.82 -3.84 0.00 -0.77 -2.66 103.07 98.28 1nvm h GLY 62 Ca 0.29 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.32 1nvm h GLY 62 CO -0.13 0.32 0.36 -2.00 0.00 0.00 0.00 176.54 175.10 1nvm h LEU 63 N 0.80 0.58 -1.73 3.11 5.85 -0.74 -2.10 115.31 121.08 1nvm h LEU 63 Ca 0.22 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 1nvm h LEU 63 Cb -0.06 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1nvm h LEU 63 CO -0.04 0.40 -0.17 0.40 -0.34 0.00 0.00 178.44 178.68 1nvm h ILE 64 N 0.71 0.74 -0.01 4.05 2.04 -0.72 -2.57 117.51 121.76 1nvm h ILE 64 Ca 0.26 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1nvm h ILE 64 Cb 0.07 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1nvm h ILE 64 CO -0.12 0.17 -0.42 0.29 0.00 0.00 0.00 178.15 178.06 1nvm n LYS 65 N -3.79 0.54 -2.28 2.37 5.02 -0.84 -4.88 118.16 114.30 1nvm n LYS 65 Ca -0.02 -0.35 -0.37 0.00 -2.02 0.00 0.00 58.31 55.56 1nvm n LYS 65 Cb 0.27 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.78 1nvm n LYS 65 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nvm s LEU 66 N -2.70 3.97 0.44 -0.35 1.43 -0.88 -4.94 118.68 115.65 1nvm s LEU 66 Ca 0.18 2.26 0.15 0.00 -1.03 0.00 0.00 54.13 55.69 1nvm s LEU 66 Cb 0.18 -4.31 1.00 0.00 0.03 0.00 0.00 46.19 43.10 1nvm s LEU 66 CO 0.61 -0.95 1.97 1.55 0.23 0.00 0.00 176.35 179.77 1nvm h PRO 67 N 1.90 0.00 0.00 1.29 0.13 -1.91 -1.83 132.00 131.58 1nvm h PRO 67 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 1nvm h PRO 67 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1nvm h PRO 67 CO 0.60 0.21 -0.16 0.93 -0.23 0.00 0.00 178.00 179.34 1nvm h GLU 68 N 0.00 0.00 -0.72 0.86 3.07 -1.92 -3.23 114.58 112.64 1nvm h GLU 68 Ca -0.00 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.96 1nvm h GLU 68 Cb 0.37 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.24 1nvm h GLU 68 CO 0.03 0.16 0.48 0.35 -1.40 0.00 0.00 179.01 178.63 1nvm h PHE 69 N 0.00 0.64 -0.39 4.33 3.57 -1.55 -2.44 116.94 121.11 1nvm h PHE 69 Ca -0.00 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.57 1nvm h PHE 69 Cb 0.48 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1nvm h PHE 69 CO 0.00 0.30 0.26 0.00 -2.23 0.00 0.00 178.31 176.64 1nvm h ALA 70 N 1.64 1.97 -0.59 2.41 0.00 -1.75 -2.30 119.26 120.63 1nvm h ALA 70 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1nvm h ALA 70 Cb 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1nvm h ALA 70 CO -0.12 -0.03 0.00 -0.25 0.00 0.00 0.00 179.25 178.85 1nvm n ASP 71 N -4.48 3.62 -4.65 0.00 8.00 -0.93 -4.93 116.55 113.18 1nvm n ASP 71 Ca 0.05 -1.99 -0.40 0.00 0.71 0.00 0.00 54.79 53.15 1nvm n ASP 71 Cb 0.23 -0.39 -0.06 0.00 -0.02 0.00 0.00 41.12 40.88 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 -1.05 5.00 -0.02 0.53 1.01 -0.87 -3.88 121.20 121.91 1nvm s ILE 72 Ca 0.41 1.23 0.16 0.00 0.00 0.00 0.00 60.65 62.45 1nvm s ILE 72 Cb 0.22 -3.97 -0.25 0.00 0.01 0.00 0.00 42.46 38.47 1nvm s ILE 72 CO 0.28 0.08 0.35 0.47 0.00 0.00 0.00 174.94 176.13 1nvm n ASP 73 N 5.22 1.28 -4.17 3.58 8.00 -0.49 -4.97 116.55 124.99 1nvm n ASP 73 Ca -0.00 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.25 1nvm n ASP 73 Cb 0.49 1.73 -0.15 0.00 -0.02 0.00 0.00 41.12 43.17 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 -3.12 1.59 -0.07 1.24 0.40 -1.14 -1.13 117.98 115.75 1nvm s PHE 74 Ca -0.06 -0.30 0.01 0.00 -0.60 0.00 0.00 56.93 55.98 1nvm s PHE 74 Cb 0.10 -1.02 0.02 0.00 0.51 0.00 0.00 43.02 42.63 1nvm s PHE 74 CO 0.68 -0.03 -0.07 0.08 0.70 0.00 0.00 175.22 176.57 1nvm s VAL 75 N -0.41 0.84 -0.17 -0.44 1.01 -0.00 -0.99 120.40 120.23 1nvm s VAL 75 Ca 0.07 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 1nvm s VAL 75 Cb -0.07 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1nvm s VAL 75 CO -0.01 0.31 0.10 -0.36 0.00 0.00 0.00 175.10 175.14 1nvm s PHE 76 N 1.16 3.37 -0.29 5.22 0.40 -0.18 -0.52 117.98 127.14 1nvm s PHE 76 Ca -0.06 0.26 -0.05 0.00 -0.60 0.00 0.00 56.93 56.47 1nvm s PHE 76 Cb -0.14 -2.07 0.02 0.00 0.51 0.00 0.00 43.02 41.33 1nvm s PHE 76 CO -0.02 0.32 0.05 0.34 0.70 0.00 0.00 175.22 176.61 1nvm s ASP 77 N 0.07 4.95 -0.29 1.36 -1.08 0.20 -0.80 116.67 121.08 1nvm s ASP 77 Ca 0.08 -0.81 0.14 0.00 -0.52 0.00 0.00 52.55 51.43 1nvm s ASP 77 Cb -0.12 -1.82 0.48 0.00 -1.46 0.00 0.00 42.92 40.00 1nvm s ASP 77 CO -0.00 -0.19 1.14 0.00 0.52 0.00 0.00 175.17 176.64 1nvm n ALA 78 N 4.80 3.98 -1.68 3.66 0.00 0.11 -0.46 120.51 130.92 1nvm n ALA 78 Ca -0.15 -3.38 0.00 0.00 0.00 0.00 0.00 53.44 49.91 1nvm n ALA 78 Cb 0.47 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.62 0.00 -3.68 0.00 -2.24 -1.22 -4.52 114.28 102.00 1nvm n THR 79 Ca 0.27 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.95 1nvm n THR 79 Cb 0.88 -0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.05 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 -0.26 0.32 3.42 0.15 -1.26 -4.62 113.70 110.45 1nvm s SER 80 Ca 0.00 -0.39 0.02 0.00 0.70 0.00 0.00 55.95 56.28 1nvm s SER 80 Cb 0.00 0.53 0.57 0.00 -1.71 0.00 0.00 66.02 65.41 1nvm s SER 80 CO 0.00 -0.95 1.94 0.00 1.20 0.00 0.00 173.24 175.43 1nvm h ALA 81 N 2.27 1.54 -0.02 5.45 0.00 -1.92 -2.03 119.26 124.54 1nvm h ALA 81 Ca -0.32 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1nvm h ALA 81 Cb 1.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1nvm h ALA 81 CO 0.42 0.35 -0.35 0.66 0.00 0.00 0.00 179.25 180.33 1nvm h SER 82 N 0.97 0.04 1.89 0.00 4.64 -1.97 -2.96 113.55 116.17 1nvm h SER 82 Ca 0.35 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1nvm h SER 82 Cb 0.14 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1nvm h SER 82 CO -0.11 0.39 -0.05 0.00 -0.87 0.00 0.00 176.83 176.19 1nvm h ALA 83 N 1.61 0.98 -0.34 5.18 0.00 -1.79 -3.33 119.26 121.57 1nvm h ALA 83 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1nvm h ALA 83 Cb 0.64 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1nvm h ALA 83 CO 0.05 0.00 -0.22 1.25 0.00 0.00 0.00 179.25 180.33 1nvm h HIS 84 N 0.00 0.74 -0.38 0.00 2.76 -1.36 -0.89 115.15 116.02 1nvm h HIS 84 Ca 0.00 -0.16 0.06 0.00 -2.20 0.00 0.00 60.37 58.07 1nvm h HIS 84 Cb 0.97 -0.18 -0.05 0.00 1.55 0.00 0.00 27.41 29.70 1nvm h HIS 84 CO 0.00 0.82 0.07 0.28 -1.30 0.00 0.00 177.93 177.80 1nvm h VAL 85 N 0.58 0.80 -0.40 5.26 2.07 -1.71 0.12 116.25 122.96 1nvm h VAL 85 Ca 0.08 -0.06 -0.16 0.00 0.82 0.00 0.00 66.70 67.38 1nvm h VAL 85 Cb 0.69 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1nvm h VAL 85 CO 0.05 0.03 -0.37 1.56 0.02 0.00 0.00 177.57 178.86 1nvm h GLN 86 N 0.19 0.95 -0.15 1.57 7.50 -1.74 -1.44 115.11 121.99 1nvm h GLN 86 Ca 0.18 -0.50 0.02 0.00 0.50 0.00 0.00 58.65 58.85 1nvm h GLN 86 Cb 0.22 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.74 1nvm h GLN 86 CO -0.24 1.15 0.04 -0.91 -1.50 0.00 0.00 178.83 177.38 1nvm h ASN 87 N 0.78 0.04 -0.47 1.46 2.35 -0.41 -1.12 115.58 118.21 1nvm h ASN 87 Ca 0.07 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1nvm h ASN 87 Cb 0.97 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.33 1nvm h ASN 87 CO 0.09 0.05 0.29 -0.08 -1.65 0.00 0.00 177.43 176.13 1nvm h GLU 88 N 0.12 0.64 -0.36 0.81 4.57 -0.79 -1.32 114.58 118.25 1nvm h GLU 88 Ca 0.06 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.24 1nvm h GLU 88 Cb 0.04 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.46 1nvm h GLU 88 CO -0.07 0.46 0.11 0.00 -1.18 0.00 0.00 179.01 178.32 1nvm h ALA 89 N 1.14 0.40 -0.16 2.92 0.00 -0.77 0.73 119.26 123.53 1nvm h ALA 89 Ca 0.17 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 1nvm h ALA 89 Cb -0.02 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1nvm h ALA 89 CO -0.03 -0.29 -0.48 -0.07 0.00 0.00 0.00 179.25 178.38 1nvm h LEU 90 N 0.25 0.70 -0.75 0.00 3.38 -1.20 -2.89 115.31 114.80 1nvm h LEU 90 Ca 0.16 -0.59 -0.12 0.00 0.09 0.00 0.00 57.88 57.42 1nvm h LEU 90 Cb 0.16 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1nvm h LEU 90 CO -0.18 1.17 -0.40 -0.07 0.09 0.00 0.00 178.44 179.05 1nvm h LEU 91 N 0.27 0.51 -0.63 1.67 3.38 -1.11 -2.21 115.31 117.18 1nvm h LEU 91 Ca -0.01 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 1nvm h LEU 91 Cb 1.10 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1nvm h LEU 91 CO 0.10 0.85 0.14 -0.09 0.09 0.00 0.00 178.44 179.53 1nvm h ARG 92 N 0.40 1.02 -0.51 1.13 9.65 -0.89 0.20 114.38 125.38 1nvm h ARG 92 Ca 0.04 -0.26 -0.04 0.00 -1.10 0.00 0.00 59.98 58.62 1nvm h ARG 92 Cb 0.87 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.30 1nvm h ARG 92 CO 0.07 0.94 0.17 0.37 2.80 0.00 0.00 179.97 184.32 1nvm h GLN 93 N 0.94 0.79 -0.19 0.20 4.15 -1.39 -2.75 115.11 116.86 1nvm h GLN 93 Ca 0.20 -0.16 -0.16 0.00 0.77 0.00 0.00 58.65 59.29 1nvm h GLN 93 Cb 0.38 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1nvm h GLN 93 CO 0.01 0.73 -0.54 0.00 -1.93 0.00 0.00 178.83 177.10 1nvm h ALA 94 N 1.03 0.71 -1.99 3.38 0.00 -1.08 -3.41 119.26 117.91 1nvm h ALA 94 Ca 0.17 -0.51 -0.39 0.00 0.00 0.00 0.00 54.91 54.18 1nvm h ALA 94 Cb 0.26 -0.09 -0.31 0.00 0.00 0.00 0.00 17.79 17.65 1nvm h ALA 94 CO -0.01 0.69 -0.71 0.21 0.00 0.00 0.00 179.25 179.43 1nvm s LYS 95 N -4.02 0.66 0.33 0.00 2.20 0.68 -5.03 119.74 114.57 1nvm s LYS 95 Ca -0.07 -0.98 0.12 0.00 -0.36 0.00 0.00 55.97 54.68 1nvm s LYS 95 Cb 0.11 -0.78 1.01 0.00 -1.51 0.00 0.00 37.83 36.66 1nvm s LYS 95 CO 0.84 -1.21 1.68 -1.35 -0.36 0.00 0.00 175.35 174.95 1nvm h PRO 96 N 6.91 0.38 -0.32 4.03 0.11 -1.70 -1.40 132.00 140.02 1nvm h PRO 96 Ca 0.06 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1nvm h PRO 96 Cb 1.04 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1nvm h PRO 96 CO 0.20 0.25 0.00 0.41 -0.21 0.00 0.00 178.00 178.65 1nvm n GLY 97 N -1.30 0.77 3.76 -0.55 0.00 -1.26 -4.95 105.19 101.65 1nvm n GLY 97 Ca 0.30 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.58 2.68 -0.24 -0.61 2.07 -0.53 -4.99 121.20 118.01 1nvm s ILE 98 Ca 0.31 0.48 -0.14 0.00 -1.41 0.00 0.00 60.65 59.88 1nvm s ILE 98 Cb 0.16 -3.22 -0.04 0.00 0.13 0.00 0.00 42.46 39.49 1nvm s ILE 98 CO 0.23 -0.04 0.31 -0.13 -1.91 0.00 0.00 174.94 173.39 1nvm s ARG 99 N -3.01 4.07 -0.19 3.50 1.81 -0.28 -4.82 118.95 120.04 1nvm s ARG 99 Ca 0.71 -0.03 -0.06 0.00 -1.72 0.00 0.00 55.73 54.63 1nvm s ARG 99 Cb -0.32 -3.59 -0.03 0.00 -0.45 0.00 0.00 34.95 30.56 1nvm s ARG 99 CO 0.37 -0.11 0.03 -0.51 -0.68 0.00 0.00 175.30 174.40 1nvm s LEU 100 N 1.55 3.56 -0.29 2.53 2.01 0.20 -0.82 118.68 127.42 1nvm s LEU 100 Ca 0.13 -0.04 -0.02 0.00 0.01 0.00 0.00 54.13 54.21 1nvm s LEU 100 Cb -0.15 -1.90 0.04 0.00 0.01 0.00 0.00 46.19 44.20 1nvm s LEU 100 CO 0.08 0.13 -0.00 -0.63 1.01 0.00 0.00 176.35 176.94 1nvm s ILE 101 N 0.61 3.07 -0.29 -0.59 -1.09 0.32 -1.12 121.20 122.10 1nvm s ILE 101 Ca 0.01 -1.24 -0.15 0.00 -2.23 0.00 0.00 60.65 57.04 1nvm s ILE 101 Cb -0.13 -2.71 -0.03 0.00 -1.58 0.00 0.00 42.46 38.01 1nvm s ILE 101 CO 0.02 -0.03 0.40 -0.62 -1.23 0.00 0.00 174.94 173.47 1nvm s ASP 102 N 1.29 6.25 0.00 3.58 2.15 0.45 -0.63 116.67 129.77 1nvm s ASP 102 Ca -0.03 0.16 0.23 0.00 0.43 0.00 0.00 52.55 53.33 1nvm s ASP 102 Cb -0.19 -2.22 0.06 0.00 -0.30 0.00 0.00 42.92 40.27 1nvm s ASP 102 CO -0.01 -0.26 1.14 0.18 -0.17 0.00 0.00 175.17 176.05 1nvm n LEU 103 N 5.41 2.37 -4.95 -1.34 4.32 0.39 -0.94 117.00 122.25 1nvm n LEU 103 Ca -0.08 -0.85 -0.25 0.00 -0.02 0.00 0.00 56.01 54.82 1nvm n LEU 103 Cb 0.50 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 42.38 1nvm n LEU 103 CO 0.39 0.42 0.57 0.42 -1.22 0.00 0.00 177.39 177.97 1nvm s THR 104 N -2.29 2.32 -1.77 -5.08 -4.23 -1.22 -4.83 115.64 98.54 1nvm s THR 104 Ca 0.22 -0.38 0.05 0.00 -1.18 0.00 0.00 61.69 60.39 1nvm s THR 104 Cb 0.19 -2.94 0.15 0.00 1.34 0.00 0.00 72.50 71.24 1nvm s THR 104 CO 0.47 0.00 1.05 -0.81 -0.54 0.00 0.00 174.62 174.79 1nvm n PRO 105 N -2.84 1.47 -0.21 3.99 -0.04 -1.26 -4.39 135.00 131.72 1nvm n PRO 105 Ca 0.09 -0.60 0.01 0.00 -0.04 0.00 0.00 63.50 62.97 1nvm n PRO 105 Cb 0.60 -1.23 0.12 0.00 -0.04 0.00 0.00 33.50 32.95 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 3.12 0.77 -5.83 0.55 0.00 -1.89 -3.44 119.26 112.53 1nvm h ALA 106 Ca 0.00 0.12 -0.37 0.00 0.00 0.00 0.00 54.91 54.66 1nvm h ALA 106 Cb 0.34 0.14 0.12 0.00 0.00 0.00 0.00 17.79 18.39 1nvm h ALA 106 CO 0.02 -0.27 -0.80 0.00 0.00 0.00 0.00 179.25 178.20 1nvm n ALA 107 N -2.55 -2.04 0.30 0.00 0.00 -1.26 -4.89 120.51 110.07 1nvm n ALA 107 Ca 0.10 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1nvm n ALA 107 Cb 0.32 -2.36 0.15 0.00 0.00 0.00 0.00 19.45 17.56 1nvm n ALA 107 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1nvm h ILE 108 N -1.86 0.00 -1.95 0.00 3.07 -1.96 -3.45 117.51 111.36 1nvm h ILE 108 Ca -0.60 -0.83 -0.54 0.00 1.55 0.00 0.00 64.86 64.44 1nvm h ILE 108 Cb 1.35 1.58 -0.07 0.00 -0.27 0.00 0.00 36.82 39.41 1nvm h ILE 108 CO 0.52 0.00 -0.55 -0.83 -1.05 0.00 0.00 178.15 176.25 1nvm s GLY 109 N -4.07 1.84 0.79 0.16 0.00 -1.26 -5.04 107.32 99.73 1nvm s GLY 109 Ca 0.05 -1.75 -0.13 0.00 0.00 0.00 0.00 44.72 42.89 1nvm s GLY 109 CO 0.71 -1.71 1.19 2.56 0.00 0.00 0.00 173.10 175.85 1nvm s PRO 110 N -3.83 1.81 0.18 2.90 0.04 -1.25 -4.01 135.00 130.82 1nvm s PRO 110 Ca 0.37 1.68 -0.29 0.00 0.04 0.00 0.00 61.00 62.79 1nvm s PRO 110 Cb -0.04 -1.80 -0.08 0.00 0.04 0.00 0.00 34.50 32.62 1nvm s PRO 110 CO 0.23 -2.07 0.92 0.71 0.04 0.00 0.00 177.00 176.82 1nvm s TYR 111 N -2.22 3.91 -0.10 0.56 4.12 -1.26 -0.90 117.35 121.46 1nvm s TYR 111 Ca 0.72 1.82 -0.00 0.00 0.02 0.00 0.00 57.07 59.62 1nvm s TYR 111 Cb -0.27 -2.97 0.02 0.00 -1.52 0.00 0.00 41.96 37.23 1nvm s TYR 111 CO 0.50 0.38 -0.08 0.00 0.02 0.00 0.00 175.55 176.37 1nvm s VAL 113 N 1.58 1.99 0.26 0.00 1.01 -1.26 -4.58 120.40 119.40 1nvm s VAL 113 Ca 0.02 -2.14 -0.05 0.00 0.00 0.00 0.00 61.98 59.82 1nvm s VAL 113 Cb -0.13 -2.47 0.31 0.00 0.00 0.00 0.00 36.38 34.10 1nvm s VAL 113 CO -0.07 -0.60 1.62 -0.65 0.00 0.00 0.00 175.10 175.40 1nvm h PRO 114 N 7.71 0.09 0.00 2.72 0.11 -1.89 0.28 132.00 141.02 1nvm h PRO 114 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1nvm h PRO 114 Cb 1.02 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1nvm h PRO 114 CO 0.51 0.06 0.00 -0.39 -0.21 0.00 0.00 178.00 177.97 1nvm h VAL 115 N 0.09 0.00 0.00 3.15 -1.51 -1.97 -1.98 116.25 114.04 1nvm h VAL 115 Ca 0.46 -0.18 -0.37 0.00 -1.23 0.00 0.00 66.70 65.38 1nvm h VAL 115 Cb 0.85 0.92 -0.06 0.00 -2.13 0.00 0.00 31.29 30.87 1nvm h VAL 115 CO -0.73 0.00 -2.28 0.52 -1.23 0.00 0.00 177.57 173.86 1nvm n VAL 116 N -2.53 1.26 -2.79 7.19 0.31 0.79 -4.89 118.33 117.67 1nvm n VAL 116 Ca -0.00 -0.36 -0.02 0.00 -0.01 0.00 0.00 64.34 63.95 1nvm n VAL 116 Cb 0.16 -1.67 0.06 0.00 -0.91 0.00 0.00 33.84 31.47 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 -3.80 1.20 -0.24 4.52 6.94 -0.05 -4.95 115.26 118.88 1nvm n ASN 117 Ca -0.44 -2.15 0.04 0.00 -0.02 0.00 0.00 54.58 52.01 1nvm n ASN 117 Cb 0.84 -0.35 0.16 0.00 -2.36 0.00 0.00 39.78 38.08 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 2.51 0.16 -0.93 -4.53 5.85 -1.48 -1.82 115.31 115.05 1nvm h LEU 118 Ca -0.17 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1nvm h LEU 118 Cb 1.26 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.41 1nvm h LEU 118 CO 0.19 0.06 0.00 -0.33 -0.34 0.00 0.00 178.44 178.02 1nvm h GLU 119 N 0.36 0.00 -0.41 1.25 4.39 -1.92 -3.37 114.58 114.89 1nvm h GLU 119 Ca 0.38 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.06 1nvm h GLU 119 Cb 0.58 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 1nvm h GLU 119 CO -0.42 0.00 0.18 1.49 -1.16 0.00 0.00 179.01 179.11 1nvm h GLU 120 N 0.00 0.60 -0.29 2.33 4.81 -1.73 -3.31 114.58 116.98 1nvm h GLU 120 Ca 0.00 -0.10 -0.12 0.00 -0.13 0.00 0.00 59.36 59.01 1nvm h GLU 120 Cb 0.50 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.70 1nvm h GLU 120 CO 0.00 0.54 -0.09 0.72 -0.73 0.00 0.00 179.01 179.45 1nvm n HIS 121 N -4.67 0.93 0.31 0.92 8.25 -1.26 -4.74 115.22 114.97 1nvm n HIS 121 Ca 0.00 -1.42 0.20 0.00 -0.26 0.00 0.00 57.72 56.24 1nvm n HIS 121 Cb 0.12 -0.42 1.02 0.00 1.12 0.00 0.00 29.99 31.83 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 1.09 0.00 -2.84 2.41 3.38 -1.77 -1.88 115.31 115.69 1nvm h LEU 122 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1nvm h LEU 122 Cb 1.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.29 1nvm h LEU 122 CO 0.31 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.45 1nvm n GLY 123 N -0.81 2.62 3.89 0.83 0.00 -1.26 -4.81 105.19 105.66 1nvm n GLY 123 Ca -0.02 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.15 3.68 0.10 1.61 -0.14 -0.71 -5.01 119.74 118.13 1nvm s LYS 124 Ca 0.44 0.29 0.23 0.00 -1.36 0.00 0.00 55.97 55.57 1nvm s LYS 124 Cb 0.24 -2.45 0.02 0.00 -1.68 0.00 0.00 37.83 33.96 1nvm s LYS 124 CO 0.28 -0.02 1.00 1.28 -0.76 0.00 0.00 175.35 177.13 1nvm n LEU 125 N -1.47 0.62 -3.64 3.17 4.77 -1.26 -4.79 117.00 114.40 1nvm n LEU 125 Ca 0.01 0.13 -0.19 0.00 -0.03 0.00 0.00 56.01 55.93 1nvm n LEU 125 Cb 0.54 -0.08 -0.16 0.00 -2.33 0.00 0.00 43.42 41.39 1nvm n LEU 125 CO 0.49 -0.05 -0.28 0.21 -1.33 0.00 0.00 177.39 176.43 1nvm s ASN 126 N -4.52 1.16 -0.02 -1.43 3.84 -1.26 -0.62 114.94 112.08 1nvm s ASN 126 Ca 0.01 0.07 0.06 0.00 0.21 0.00 0.00 52.86 53.21 1nvm s ASN 126 Cb 0.13 0.08 -0.01 0.00 -0.55 0.00 0.00 41.25 40.89 1nvm s ASN 126 CO 0.80 -0.27 -0.21 -0.69 -2.79 0.00 0.00 177.10 173.95 1nvm s VAL 127 N 2.23 1.65 -0.15 -5.21 1.01 -0.27 -3.97 120.40 115.69 1nvm s VAL 127 Ca 0.04 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.07 1nvm s VAL 127 Cb -0.13 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1nvm s VAL 127 CO -0.06 0.47 0.08 0.21 0.00 0.00 0.00 175.10 175.80 1nvm s ASN 128 N -0.39 5.84 -0.28 3.32 2.47 -0.08 -0.41 114.94 125.40 1nvm s ASN 128 Ca 0.06 0.23 0.12 0.00 0.42 0.00 0.00 52.86 53.68 1nvm s ASN 128 Cb -0.09 -1.91 0.76 0.00 -1.45 0.00 0.00 41.25 38.56 1nvm s ASN 128 CO -0.00 0.29 1.76 0.23 -3.72 0.00 0.00 177.10 175.65 1nvm n MET 129 N 2.79 4.07 0.00 0.43 2.81 -0.12 -0.99 117.12 126.12 1nvm n MET 129 Ca -0.18 -3.11 0.00 0.00 -1.81 0.00 0.00 57.70 52.60 1nvm n MET 129 Cb 0.53 -2.21 0.00 0.00 -0.71 0.00 0.00 33.22 30.84 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 0.08 0.00 -4.03 2.03 0.31 -1.26 -4.68 118.33 110.77 1nvm n VAL 130 Ca 0.35 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.57 1nvm n VAL 130 Cb 1.28 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 34.16 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 0.20 2.52 -4.23 -1.26 -3.99 115.64 108.88 1nvm s THR 131 Ca 0.00 -1.49 -0.09 0.00 -1.18 0.00 0.00 61.69 58.93 1nvm s THR 131 Cb 0.00 -2.38 0.14 0.00 1.34 0.00 0.00 72.50 71.59 1nvm s THR 131 CO 0.00 0.00 1.78 0.00 -0.54 0.00 0.00 174.62 175.86 1nvm h GLY 133 N 1.05 1.27 0.87 0.00 0.00 -1.97 -1.43 103.07 102.86 1nvm h GLY 133 Ca 0.25 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 1nvm h GLY 133 CO -0.03 0.69 -0.07 -1.33 0.00 0.00 0.00 176.54 175.80 1nvm h GLY 134 N 1.13 -0.21 1.09 4.60 0.00 -1.84 -0.46 103.07 107.39 1nvm h GLY 134 Ca 0.25 0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.71 1nvm h GLY 134 CO -0.01 -0.08 0.47 1.46 0.00 0.00 0.00 176.54 178.38 1nvm h GLN 135 N -0.34 0.74 -0.04 4.80 1.08 -0.60 0.18 115.11 120.94 1nvm h GLN 135 Ca -0.02 -0.04 -0.19 0.00 -1.45 0.00 0.00 58.65 56.94 1nvm h GLN 135 Cb 0.27 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 1nvm h GLN 135 CO 0.03 0.49 -0.79 0.00 -0.95 0.00 0.00 178.83 177.62 1nvm h ALA 136 N 1.61 0.56 0.00 3.87 0.00 -1.10 -3.41 119.26 120.80 1nvm h ALA 136 Ca 0.30 -0.65 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 1nvm h ALA 136 Cb 0.21 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1nvm h ALA 136 CO -0.10 0.81 -1.64 0.25 0.00 0.00 0.00 179.25 178.57 1nvm n THR 137 N -3.78 0.46 -0.28 0.00 -2.24 -0.20 -4.56 114.28 103.68 1nvm n THR 137 Ca -0.04 -0.38 0.03 0.00 -2.27 0.00 0.00 64.05 61.39 1nvm n THR 137 Cb 0.75 -0.37 0.24 0.00 -2.10 0.00 0.00 70.33 68.84 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 1.11 -0.80 2.28 2.04 -1.16 -0.50 117.51 120.48 1nvm h ILE 138 Ca -0.18 -0.36 0.07 0.00 1.00 0.00 0.00 64.86 65.39 1nvm h ILE 138 Cb 1.24 -0.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 1nvm h ILE 138 CO 0.01 0.19 0.52 -0.65 0.00 0.00 0.00 178.15 178.22 1nvm h PRO 139 N 1.04 0.83 -0.34 2.37 0.11 -1.78 0.37 132.00 134.60 1nvm h PRO 139 Ca 0.36 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.29 1nvm h PRO 139 Cb 0.11 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 1nvm h PRO 139 CO -0.12 0.55 -0.33 0.52 -0.21 0.00 0.00 178.00 178.41 1nvm h MET 140 N 0.86 0.74 -0.20 1.05 2.86 -1.36 -1.25 114.93 117.63 1nvm h MET 140 Ca 0.34 -0.35 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1nvm h MET 140 Cb 0.24 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1nvm h MET 140 CO -0.12 0.96 -0.03 0.28 1.06 0.00 0.00 176.91 179.07 1nvm h VAL 141 N 0.62 1.27 -0.13 -2.22 2.07 -0.73 -2.61 116.25 114.52 1nvm h VAL 141 Ca 0.07 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.59 1nvm h VAL 141 Cb 0.86 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1nvm h VAL 141 CO 0.07 0.29 -0.09 0.00 0.02 0.00 0.00 177.57 177.87 1nvm h ALA 142 N 0.76 1.60 -0.65 1.67 0.00 -0.93 -0.94 119.26 120.78 1nvm h ALA 142 Ca 0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1nvm h ALA 142 Cb 0.45 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1nvm h ALA 142 CO 0.02 0.29 0.31 0.00 0.00 0.00 0.00 179.25 179.86 1nvm h ALA 143 N 1.72 1.33 0.18 0.00 0.00 -0.93 -0.93 119.26 120.63 1nvm h ALA 143 Ca 0.04 -0.13 -0.32 0.00 0.00 0.00 0.00 54.91 54.50 1nvm h ALA 143 Cb 0.29 -0.26 0.03 0.00 0.00 0.00 0.00 17.79 17.85 1nvm h ALA 143 CO 0.02 0.52 -1.36 0.28 0.00 0.00 0.00 179.25 178.71 1nvm h VAL 144 N 0.91 1.28 -0.04 0.00 2.07 -1.06 -3.31 116.25 116.10 1nvm h VAL 144 Ca 0.22 -2.56 0.01 0.00 0.82 0.00 0.00 66.70 65.19 1nvm h VAL 144 Cb 0.10 2.85 -0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1nvm h VAL 144 CO -0.03 0.78 0.03 0.28 0.02 0.00 0.00 177.57 178.65 1nvm h SER 145 N 0.22 0.00 0.09 0.57 0.02 -0.64 0.18 113.55 114.00 1nvm h SER 145 Ca -0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1nvm h SER 145 Cb 2.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.58 1nvm h SER 145 CO 0.26 0.00 0.00 -2.11 -1.14 0.00 0.00 176.83 173.84 1nvm n ARG 146 N -4.48 0.78 -0.05 3.45 1.85 -0.40 -3.44 116.66 114.37 1nvm n ARG 146 Ca -0.02 0.01 -0.07 0.00 -1.00 0.00 0.00 57.85 56.77 1nvm n ARG 146 Cb 0.13 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 29.99 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 -1.05 0.56 -3.60 8.89 0.31 -0.12 -5.09 118.33 118.22 1nvm n VAL 147 Ca 0.19 -0.22 -0.13 0.00 -0.01 0.00 0.00 64.34 64.17 1nvm n VAL 147 Cb 0.12 -0.85 -0.05 0.00 -0.91 0.00 0.00 33.84 32.15 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 -2.20 -1.18 0.17 3.52 0.00 -0.21 -5.00 121.76 116.86 1nvm s ALA 148 Ca -0.13 0.41 -0.32 0.00 0.00 0.00 0.00 51.96 51.93 1nvm s ALA 148 Cb 0.03 0.44 -0.11 0.00 0.00 0.00 0.00 23.12 23.49 1nvm s ALA 148 CO 0.23 -0.52 1.66 0.21 0.00 0.00 0.00 175.76 177.34 1nvm s LYS 149 N -2.72 4.17 -0.29 0.00 2.20 -1.26 -3.97 119.74 117.88 1nvm s LYS 149 Ca -0.04 2.48 -0.12 0.00 -0.36 0.00 0.00 55.97 57.93 1nvm s LYS 149 Cb -0.00 -3.22 -0.04 0.00 -1.51 0.00 0.00 37.83 33.06 1nvm s LYS 149 CO -0.04 -0.70 0.24 0.08 -0.36 0.00 0.00 175.35 174.57 1nvm s VAL 150 N 1.48 5.28 0.06 4.02 1.01 -1.26 -1.29 120.40 129.69 1nvm s VAL 150 Ca 0.73 0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.84 1nvm s VAL 150 Cb -0.46 -3.60 -0.30 0.00 0.00 0.00 0.00 36.38 32.03 1nvm s VAL 150 CO 0.32 0.18 1.07 0.45 0.00 0.00 0.00 175.10 177.13 1nvm h HIS 151 N 8.36 0.58 -2.42 5.22 -0.00 -1.31 -1.04 115.15 124.53 1nvm h HIS 151 Ca -0.34 -0.42 -0.09 0.00 -0.00 0.00 0.00 60.37 59.53 1nvm h HIS 151 Cb 1.18 -0.02 -0.23 0.00 -0.00 0.00 0.00 27.41 28.34 1nvm h HIS 151 CO 0.74 1.35 -0.08 -0.47 -0.00 0.00 0.00 177.93 179.48 1nvm s TYR 152 N -2.64 -0.60 -0.02 2.45 5.04 -1.10 -2.96 117.35 117.53 1nvm s TYR 152 Ca -0.06 1.45 -0.00 0.00 -2.44 0.00 0.00 57.07 56.02 1nvm s TYR 152 Cb 0.06 0.21 0.02 0.00 0.35 0.00 0.00 41.96 42.60 1nvm s TYR 152 CO 0.89 -0.29 0.03 0.00 -1.34 0.00 0.00 175.55 174.84 1nvm s ALA 153 N 0.27 -0.00 -0.04 3.97 0.00 -0.44 -0.46 121.76 125.05 1nvm s ALA 153 Ca -0.00 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.18 1nvm s ALA 153 Cb -0.04 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.94 1nvm s ALA 153 CO 0.01 -0.06 -0.12 -2.00 0.00 0.00 0.00 175.76 173.59 1nvm s GLU 154 N 0.52 1.43 0.05 0.00 2.12 -0.12 -1.25 118.70 121.45 1nvm s GLU 154 Ca -0.04 -0.42 0.08 0.00 0.36 0.00 0.00 54.97 54.95 1nvm s GLU 154 Cb -0.06 -1.25 -0.03 0.00 0.26 0.00 0.00 34.13 33.05 1nvm s GLU 154 CO -0.02 0.12 -0.23 0.96 -0.54 0.00 0.00 175.26 175.55 1nvm s ILE 155 N 0.33 1.89 -0.18 -3.70 -5.25 -0.30 -0.68 121.20 113.31 1nvm s ILE 155 Ca -0.07 -1.33 0.01 0.00 -0.99 0.00 0.00 60.65 58.27 1nvm s ILE 155 Cb -0.12 -1.64 0.03 0.00 2.95 0.00 0.00 42.46 43.68 1nvm s ILE 155 CO 0.02 0.25 -0.12 -0.69 -1.79 0.00 0.00 174.94 172.61 1nvm s VAL 156 N -0.83 1.61 -0.21 8.37 1.01 0.52 -1.06 120.40 129.81 1nvm s VAL 156 Ca 0.10 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 1nvm s VAL 156 Cb -0.09 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1nvm s VAL 156 CO 0.02 0.30 0.06 0.00 0.00 0.00 0.00 175.10 175.48 1nvm s ALA 157 N 1.43 3.29 -0.14 5.51 0.00 0.02 -1.09 121.76 130.79 1nvm s ALA 157 Ca 0.01 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1nvm s ALA 157 Cb -0.15 -1.97 0.01 0.00 0.00 0.00 0.00 23.12 21.02 1nvm s ALA 157 CO -0.09 -0.08 -0.18 -1.12 0.00 0.00 0.00 175.76 174.28 1nvm s SER 158 N 0.86 2.85 0.22 0.00 0.01 -0.05 -1.00 113.70 116.59 1nvm s SER 158 Ca 0.03 -0.54 0.09 0.00 1.31 0.00 0.00 55.95 56.84 1nvm s SER 158 Cb -0.14 -1.31 -0.05 0.00 0.21 0.00 0.00 66.02 64.74 1nvm s SER 158 CO 0.02 0.03 -0.16 0.27 0.41 0.00 0.00 173.24 173.81 1nvm s ILE 159 N 1.04 1.90 0.19 1.44 -4.36 -0.40 -1.52 121.20 119.50 1nvm s ILE 159 Ca -0.03 -2.22 -0.31 0.00 -0.26 0.00 0.00 60.65 57.83 1nvm s ILE 159 Cb -0.15 -2.08 -0.10 0.00 1.25 0.00 0.00 42.46 41.39 1nvm s ILE 159 CO -0.05 -0.53 1.46 -0.55 0.24 0.00 0.00 174.94 175.52 1nvm s SER 160 N -3.28 6.68 0.33 4.36 0.15 -1.25 -1.23 113.70 119.46 1nvm s SER 160 Ca 0.23 2.57 0.07 0.00 0.70 0.00 0.00 55.95 59.52 1nvm s SER 160 Cb -0.02 -2.61 0.76 0.00 -1.71 0.00 0.00 66.02 62.44 1nvm s SER 160 CO 0.08 -0.72 1.84 0.28 1.20 0.00 0.00 173.24 175.93 1nvm h SER 161 N 5.95 0.73 0.65 5.45 0.02 -1.55 -2.03 113.55 122.77 1nvm h SER 161 Ca -0.44 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1nvm h SER 161 Cb 1.21 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1nvm h SER 161 CO 0.84 0.35 0.00 2.29 -1.14 0.00 0.00 176.83 179.16 1nvm n LYS 162 N -4.61 0.07 0.01 3.45 2.85 -1.26 -2.09 118.16 116.57 1nvm n LYS 162 Ca 0.19 0.13 0.12 0.00 -1.05 0.00 0.00 58.31 57.70 1nvm n LYS 162 Cb 0.48 -1.50 0.21 0.00 -0.65 0.00 0.00 35.03 33.58 1nvm n LYS 162 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1nvm n SER 163 N -1.45 0.55 -4.43 -5.58 3.41 -0.76 -4.69 113.62 100.65 1nvm n SER 163 Ca 0.06 -0.25 -0.44 0.00 -0.26 0.00 0.00 58.87 57.99 1nvm n SER 163 Cb 0.23 0.30 -0.09 0.00 -0.26 0.00 0.00 64.21 64.40 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 -3.03 3.50 1.03 7.33 0.00 -0.89 -4.91 121.76 124.79 1nvm s ALA 164 Ca 0.10 -1.86 -0.17 0.00 0.00 0.00 0.00 51.96 50.04 1nvm s ALA 164 Cb 0.17 -3.01 0.23 0.00 0.00 0.00 0.00 23.12 20.50 1nvm s ALA 164 CO 0.71 -1.62 1.27 0.41 0.00 0.00 0.00 175.76 176.53 1nvm n GLY 165 N 5.17 -1.66 0.36 0.00 0.00 -1.26 -4.82 105.19 102.98 1nvm n GLY 165 Ca -0.11 -1.68 0.16 0.00 0.00 0.00 0.00 46.02 44.39 1nvm n GLY 165 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1nvm h PRO 166 N 0.00 0.16 -0.57 1.61 0.11 -1.98 -0.74 132.00 130.60 1nvm h PRO 166 Ca -0.42 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 1nvm h PRO 166 Cb 1.16 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1nvm h PRO 166 CO 0.29 0.11 0.14 0.78 -0.21 0.00 0.00 178.00 179.11 1nvm h GLY 167 N 0.17 0.94 0.84 -0.55 0.00 -1.92 -0.39 103.07 102.15 1nvm h GLY 167 Ca 0.25 -0.54 -0.10 0.00 0.00 0.00 0.00 47.33 46.93 1nvm h GLY 167 CO -0.04 0.51 -0.29 -0.84 0.00 0.00 0.00 176.54 175.89 1nvm h THR 168 N 0.84 1.35 0.00 4.70 2.02 -1.43 -3.21 112.91 117.17 1nvm h THR 168 Ca 0.18 -1.51 -0.03 0.00 0.77 0.00 0.00 66.41 65.82 1nvm h THR 168 Cb 0.30 1.90 -0.00 0.00 -1.74 0.00 0.00 68.15 68.61 1nvm h THR 168 CO -0.00 0.46 -0.13 0.03 0.37 0.00 0.00 175.52 176.24 1nvm h ARG 169 N 0.15 0.00 0.00 6.66 3.08 -1.12 -1.79 114.38 121.35 1nvm h ARG 169 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1nvm h ARG 169 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1nvm h ARG 169 CO 0.07 0.13 -0.06 0.00 -1.07 0.00 0.00 179.97 179.04 1nvm h ALA 170 N 1.87 0.96 -1.12 0.04 0.00 -1.08 -3.35 119.26 116.57 1nvm h ALA 170 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 1nvm h ALA 170 Cb 0.35 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.72 1nvm h ALA 170 CO 0.02 0.00 -0.85 0.27 0.00 0.00 0.00 179.25 178.69 1nvm n ASN 171 N -2.39 4.13 -0.13 0.00 0.23 -0.68 -4.85 115.26 111.58 1nvm n ASN 171 Ca 0.05 -3.47 -0.13 0.00 -0.53 0.00 0.00 54.58 50.51 1nvm n ASN 171 Cb 0.45 -0.43 -0.02 0.00 -2.08 0.00 0.00 39.78 37.70 1nvm n ASN 171 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 1nvm h ILE 172 N 2.75 1.27 -0.38 1.53 1.08 -1.70 -1.41 117.51 120.65 1nvm h ILE 172 Ca 0.24 -1.48 0.01 0.00 -0.39 0.00 0.00 64.86 63.24 1nvm h ILE 172 Cb 1.18 1.31 -0.02 0.00 -3.07 0.00 0.00 36.82 36.22 1nvm h ILE 172 CO 0.72 0.50 0.24 0.44 -0.69 0.00 0.00 178.15 179.36 1nvm h ASP 173 N 0.77 0.39 -0.92 1.72 5.19 -1.93 -2.09 116.42 119.56 1nvm h ASP 173 Ca 0.08 -0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.53 1nvm h ASP 173 Cb 0.90 -0.09 -0.06 0.00 0.18 0.00 0.00 39.33 40.27 1nvm h ASP 173 CO 0.08 0.28 0.60 -0.33 -3.12 0.00 0.00 179.24 176.75 1nvm h GLU 174 N 0.48 1.07 -0.38 3.56 3.07 -1.90 -1.29 114.58 119.18 1nvm h GLU 174 Ca 0.15 -0.06 0.06 0.00 -0.50 0.00 0.00 59.36 59.00 1nvm h GLU 174 Cb -0.02 -0.24 -0.05 0.00 -0.84 0.00 0.00 28.75 27.59 1nvm h GLU 174 CO -0.05 0.71 0.05 0.35 -1.40 0.00 0.00 179.01 178.66 1nvm h PHE 175 N 1.10 0.07 -0.32 4.33 3.57 -0.60 0.41 116.94 125.50 1nvm h PHE 175 Ca 0.38 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.81 1nvm h PHE 175 Cb 0.10 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1nvm h PHE 175 CO -0.00 -0.02 -0.18 1.79 -2.23 0.00 0.00 178.31 177.67 1nvm h THR 176 N 0.16 1.29 0.04 4.41 1.35 -0.74 -1.60 112.91 117.82 1nvm h THR 176 Ca 0.18 -1.30 -0.00 0.00 -0.55 0.00 0.00 66.41 64.74 1nvm h THR 176 Cb 0.23 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1nvm h THR 176 CO -0.27 0.42 -0.02 -0.33 -0.25 0.00 0.00 175.52 175.08 1nvm h GLU 177 N 0.45 -0.05 -0.75 4.72 5.08 -0.92 -1.61 114.58 121.50 1nvm h GLU 177 Ca 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1nvm h GLU 177 Cb 0.72 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 1nvm h GLU 177 CO 0.05 0.31 0.42 1.15 -1.00 0.00 0.00 179.01 179.94 1nvm h THR 178 N -0.42 1.23 -0.50 1.13 2.02 -0.25 -1.27 112.91 114.85 1nvm h THR 178 Ca -0.01 -0.55 -0.06 0.00 0.77 0.00 0.00 66.41 66.56 1nvm h THR 178 Cb 0.38 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1nvm h THR 178 CO 0.01 0.25 0.08 0.74 0.37 0.00 0.00 175.52 176.97 1nvm h THR 179 N 1.04 1.25 -0.38 3.16 2.02 -1.31 -1.69 112.91 117.00 1nvm h THR 179 Ca 0.27 -0.93 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 1nvm h THR 179 Cb 0.02 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1nvm h THR 179 CO -0.04 0.33 0.21 0.77 0.37 0.00 0.00 175.52 177.16 1nvm h SER 180 N 0.71 0.47 -0.62 4.18 4.64 -1.08 -0.14 113.55 121.71 1nvm h SER 180 Ca 0.15 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.33 1nvm h SER 180 Cb 0.40 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 1nvm h SER 180 CO 0.01 0.42 0.19 0.11 -0.87 0.00 0.00 176.83 176.69 1nvm h LYS 181 N 0.49 1.00 0.00 4.77 1.57 -1.17 -2.56 116.57 120.67 1nvm h LYS 181 Ca 0.13 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 1nvm h LYS 181 Cb 0.05 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1nvm h LYS 181 CO -0.02 0.87 -0.38 0.00 -0.57 0.00 0.00 179.45 179.35 1nvm h ALA 182 N 1.23 0.98 -0.53 3.86 0.00 -0.99 0.25 119.26 124.06 1nvm h ALA 182 Ca 0.21 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1nvm h ALA 182 Cb 0.30 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1nvm h ALA 182 CO -0.01 0.48 0.20 0.82 0.00 0.00 0.00 179.25 180.75 1nvm h ILE 183 N 0.00 1.20 0.27 0.00 2.04 -0.63 -0.12 117.51 120.26 1nvm h ILE 183 Ca -0.00 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 1nvm h ILE 183 Cb 0.93 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1nvm h ILE 183 CO 0.05 0.25 -0.13 -0.33 0.00 0.00 0.00 178.15 177.99 1nvm h GLU 184 N 0.76 -0.35 0.35 2.37 5.08 -1.14 -2.08 114.58 119.58 1nvm h GLU 184 Ca 0.18 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 1nvm h GLU 184 Cb 0.17 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1nvm h GLU 184 CO -0.02 -0.14 -0.17 0.28 -1.00 0.00 0.00 179.01 177.97 1nvm h VAL 185 N -1.06 0.67 0.08 3.13 2.07 -0.91 -1.68 116.25 118.56 1nvm h VAL 185 Ca -0.04 -0.14 -0.34 0.00 0.82 0.00 0.00 66.70 67.00 1nvm h VAL 185 Cb 0.37 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1nvm h VAL 185 CO 0.06 0.03 -1.91 -0.38 0.02 0.00 0.00 177.57 175.39 1nvm n ILE 186 N -5.26 1.72 0.14 4.57 2.08 -0.09 -4.33 119.36 118.18 1nvm n ILE 186 Ca -0.10 -0.71 0.03 0.00 0.56 0.00 0.00 62.75 62.53 1nvm n ILE 186 Cb 0.22 -1.48 0.07 0.00 -0.75 0.00 0.00 39.64 37.71 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 1.98 0.00 0.00 7.39 0.00 -0.99 -3.44 103.07 108.01 1nvm h GLY 187 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1nvm h GLY 187 CO 0.08 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.23 1nvm n GLY 188 N 1.07 0.75 3.80 4.60 0.00 -0.64 -3.35 105.19 111.43 1nvm n GLY 188 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.29 3.02 0.30 4.61 0.00 -1.00 -4.48 121.76 121.92 1nvm s ALA 189 Ca 0.00 0.55 0.04 0.00 0.00 0.00 0.00 51.96 52.55 1nvm s ALA 189 Cb 0.00 -3.22 0.49 0.00 0.00 0.00 0.00 23.12 20.40 1nvm s ALA 189 CO 0.00 -0.08 1.77 0.00 0.00 0.00 0.00 175.76 177.44 1nvm h ALA 190 N 2.10 1.19 -3.24 0.00 0.00 -1.28 -3.38 119.26 114.66 1nvm h ALA 190 Ca -0.49 -0.31 -0.19 0.00 0.00 0.00 0.00 54.91 53.92 1nvm h ALA 190 Cb 1.20 -0.12 -0.27 0.00 0.00 0.00 0.00 17.79 18.60 1nvm h ALA 190 CO 0.61 0.52 -0.50 0.21 0.00 0.00 0.00 179.25 180.09 1nvm s LYS 191 N -4.56 0.21 0.29 0.00 2.47 -1.16 -4.99 119.74 112.00 1nvm s LYS 191 Ca -0.07 0.31 0.07 0.00 -1.56 0.00 0.00 55.97 54.72 1nvm s LYS 191 Cb 0.14 0.05 -0.06 0.00 -1.46 0.00 0.00 37.83 36.51 1nvm s LYS 191 CO 0.78 -0.06 -0.07 0.20 0.16 0.00 0.00 175.35 176.36 1nvm s GLY 192 N 0.34 1.87 -0.12 5.54 0.00 -1.26 -1.33 107.32 112.36 1nvm s GLY 192 Ca -0.02 -1.92 -0.13 0.00 0.00 0.00 0.00 44.72 42.65 1nvm s GLY 192 CO -0.01 -1.87 0.36 1.25 0.00 0.00 0.00 173.10 172.83 1nvm s LYS 193 N -3.70 0.46 -0.01 2.90 2.20 -0.38 -4.85 119.74 116.36 1nvm s LYS 193 Ca 0.30 0.42 0.01 0.00 -0.36 0.00 0.00 55.97 56.34 1nvm s LYS 193 Cb 0.03 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.57 1nvm s LYS 193 CO 0.12 -0.07 -0.04 0.00 -0.36 0.00 0.00 175.35 175.00 1nvm s ALA 194 N 0.00 0.41 -0.02 3.13 0.00 -1.26 -1.15 121.76 122.87 1nvm s ALA 194 Ca -0.02 -0.14 0.04 0.00 0.00 0.00 0.00 51.96 51.85 1nvm s ALA 194 Cb -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1nvm s ALA 194 CO 0.01 0.06 -0.16 0.42 0.00 0.00 0.00 175.76 176.10 1nvm s ILE 195 N 0.15 1.27 -0.05 0.00 1.01 -0.23 -4.77 121.20 118.59 1nvm s ILE 195 Ca -0.01 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 60.01 1nvm s ILE 195 Cb -0.05 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.35 1nvm s ILE 195 CO -0.00 0.36 -0.15 -0.51 0.00 0.00 0.00 174.94 174.64 1nvm s ILE 196 N -0.17 1.26 -0.05 2.92 2.07 -1.26 -0.80 121.20 125.17 1nvm s ILE 196 Ca 0.02 -0.61 0.03 0.00 -1.41 0.00 0.00 60.65 58.69 1nvm s ILE 196 Cb -0.08 -1.11 0.00 0.00 0.13 0.00 0.00 42.46 41.41 1nvm s ILE 196 CO 0.00 0.37 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.63 1nvm s ILE 197 N 0.23 1.24 -0.16 2.00 -1.09 -0.17 -4.98 121.20 118.27 1nvm s ILE 197 Ca -0.07 -0.59 -0.07 0.00 -2.23 0.00 0.00 60.65 57.69 1nvm s ILE 197 Cb -0.12 -1.09 -0.04 0.00 -1.58 0.00 0.00 42.46 39.62 1nvm s ILE 197 CO 0.02 0.37 0.09 -0.04 -1.23 0.00 0.00 174.94 174.15 1nvm s MET 198 N 0.28 3.80 -0.09 2.79 -1.94 -1.26 -1.28 119.30 121.61 1nvm s MET 198 Ca -0.08 -0.27 0.01 0.00 -1.71 0.00 0.00 55.69 53.65 1nvm s MET 198 Cb -0.13 -3.21 0.02 0.00 2.01 0.00 0.00 34.83 33.52 1nvm s MET 198 CO 0.03 0.44 -0.12 1.21 -0.01 0.00 0.00 175.02 176.56 1nvm s ASN 199 N -0.09 2.11 -0.09 3.03 3.04 -0.36 -4.82 114.94 117.76 1nvm s ASN 199 Ca 0.08 -0.35 0.09 0.00 0.04 0.00 0.00 52.86 52.72 1nvm s ASN 199 Cb -0.12 -0.93 0.41 0.00 -1.54 0.00 0.00 41.25 39.07 1nvm s ASN 199 CO 0.01 -0.00 1.19 -0.81 -3.04 0.00 0.00 177.10 174.45 1nvm n PRO 200 N 4.19 2.74 -1.71 0.43 -0.04 -1.26 -1.41 135.00 137.94 1nvm n PRO 200 Ca -0.19 -1.59 -0.39 0.00 -0.04 0.00 0.00 63.50 61.29 1nvm n PRO 200 Cb 0.51 -1.74 0.04 0.00 -0.04 0.00 0.00 33.50 32.28 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 0.42 1.16 -2.67 0.55 0.00 -1.26 -4.91 120.51 113.80 1nvm n ALA 201 Ca 0.14 0.10 -0.28 0.00 0.00 0.00 0.00 53.44 53.41 1nvm n ALA 201 Cb 0.63 -2.28 -0.08 0.00 0.00 0.00 0.00 19.45 17.72 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 -2.83 2.43 0.03 0.00 0.41 -1.26 -3.17 118.70 114.31 1nvm s GLU 202 Ca 0.73 -1.03 -0.05 0.00 -0.41 0.00 0.00 54.97 54.21 1nvm s GLU 202 Cb -0.43 -2.41 -0.03 0.00 -1.78 0.00 0.00 34.13 29.49 1nvm s GLU 202 CO 0.49 0.48 0.10 -2.30 -0.49 0.00 0.00 175.26 173.54 1nvm n PRO 203 N 0.11 0.00 -1.84 0.39 -0.02 -1.26 -5.07 135.00 127.30 1nvm n PRO 203 Ca -0.10 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 60.98 1nvm n PRO 203 Cb 0.54 -0.19 0.01 0.00 -0.02 0.00 0.00 33.50 33.85 1nvm n PRO 203 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1nvm s PRO 204 N -0.16 3.78 0.03 0.52 0.02 -1.19 -4.95 135.00 133.04 1nvm s PRO 204 Ca 0.12 2.39 -0.27 0.00 0.02 0.00 0.00 61.00 63.26 1nvm s PRO 204 Cb -0.17 -2.71 -0.04 0.00 0.02 0.00 0.00 34.50 31.60 1nvm s PRO 204 CO 0.10 -0.73 0.86 -0.51 -0.33 0.00 0.00 177.00 176.39 1nvm s LEU 205 N -2.61 4.41 0.40 -5.54 1.43 -1.26 -4.89 118.68 110.62 1nvm s LEU 205 Ca 0.59 1.54 -0.27 0.00 -1.03 0.00 0.00 54.13 54.97 1nvm s LEU 205 Cb -0.43 -3.38 -0.09 0.00 0.03 0.00 0.00 46.19 42.32 1nvm s LEU 205 CO 0.56 -0.11 1.36 -0.51 0.23 0.00 0.00 176.35 177.88 1nvm s ILE 206 N 0.43 2.43 0.26 -0.59 2.07 -1.26 -3.86 121.20 120.68 1nvm s ILE 206 Ca 0.44 0.40 -0.30 0.00 -1.41 0.00 0.00 60.65 59.78 1nvm s ILE 206 Cb -0.21 -3.24 -0.14 0.00 0.13 0.00 0.00 42.46 39.01 1nvm s ILE 206 CO 0.25 0.07 1.31 0.80 -1.91 0.00 0.00 174.94 175.46 1nvm n MET 207 N 0.21 1.87 -4.62 3.50 0.00 -0.94 -4.83 117.12 112.31 1nvm n MET 207 Ca 0.03 0.66 -0.30 0.00 -0.00 0.00 0.00 57.70 58.10 1nvm n MET 207 Cb 0.42 -2.25 -0.14 0.00 0.00 0.00 0.00 33.22 31.25 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 -0.83 1.60 -0.06 2.12 1.81 -0.57 -1.51 118.95 121.50 1nvm s ARG 208 Ca 0.65 -1.23 -0.02 0.00 -1.72 0.00 0.00 55.73 53.40 1nvm s ARG 208 Cb -0.66 -1.95 0.04 0.00 -0.45 0.00 0.00 34.95 31.93 1nvm s ARG 208 CO 0.54 0.48 0.12 -0.51 -0.68 0.00 0.00 175.30 175.25 1nvm s ASP 209 N -1.69 0.12 -0.09 0.23 1.01 -0.72 -0.87 116.67 114.66 1nvm s ASP 209 Ca 0.13 0.25 0.04 0.00 0.71 0.00 0.00 52.55 53.68 1nvm s ASP 209 Cb -0.10 0.14 -0.00 0.00 1.01 0.00 0.00 42.92 43.96 1nvm s ASP 209 CO 0.04 -0.17 -0.23 -0.89 0.21 0.00 0.00 175.17 174.14 1nvm s THR 210 N 1.38 2.21 -0.10 -1.27 2.01 -0.25 0.04 115.64 119.66 1nvm s THR 210 Ca -0.07 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 60.99 1nvm s THR 210 Cb -0.12 -1.85 0.00 0.00 0.01 0.00 0.00 72.50 70.55 1nvm s THR 210 CO -0.05 0.56 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.52 1nvm s VAL 211 N 0.20 1.96 -0.18 3.82 1.01 0.36 -0.36 120.40 127.21 1nvm s VAL 211 Ca -0.14 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 60.88 1nvm s VAL 211 Cb -0.17 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 1nvm s VAL 211 CO 0.07 0.54 -0.11 -0.31 0.00 0.00 0.00 175.10 175.29 1nvm s TYR 212 N 0.48 2.87 -0.12 5.22 2.02 0.15 -0.82 117.35 127.14 1nvm s TYR 212 Ca -0.16 -0.95 0.01 0.00 -0.37 0.00 0.00 57.07 55.61 1nvm s TYR 212 Cb -0.17 -1.97 0.02 0.00 -0.40 0.00 0.00 41.96 39.44 1nvm s TYR 212 CO 0.06 -0.46 -0.15 0.08 -1.57 0.00 0.00 175.55 173.51 1nvm s VAL 213 N 0.99 1.50 -0.33 0.71 1.01 0.74 -0.94 120.40 124.08 1nvm s VAL 213 Ca -0.01 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.24 1nvm s VAL 213 Cb -0.15 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1nvm s VAL 213 CO -0.01 0.44 0.16 -0.22 0.00 0.00 0.00 175.10 175.47 1nvm s LEU 214 N 1.09 4.27 0.42 3.92 2.96 0.39 -0.41 118.68 131.32 1nvm s LEU 214 Ca -0.04 -0.67 0.04 0.00 -0.22 0.00 0.00 54.13 53.24 1nvm s LEU 214 Cb -0.14 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 1nvm s LEU 214 CO -0.03 -0.25 0.05 -0.94 -1.32 0.00 0.00 176.35 173.86 1nvm s SER 215 N 1.59 3.31 1.06 3.68 1.04 0.49 -0.80 113.70 124.07 1nvm s SER 215 Ca 0.04 -1.53 -0.12 0.00 0.48 0.00 0.00 55.95 54.82 1nvm s SER 215 Cb -0.18 0.16 0.22 0.00 0.10 0.00 0.00 66.02 66.33 1nvm s SER 215 CO 0.06 -0.72 1.07 0.00 0.98 0.00 0.00 173.24 174.63 1nvm s ALA 216 N -3.02 0.35 0.31 5.32 0.00 -0.41 -0.29 121.76 124.02 1nvm s ALA 216 Ca 0.24 -0.01 -0.29 0.00 0.00 0.00 0.00 51.96 51.91 1nvm s ALA 216 Cb 0.05 -3.26 -0.13 0.00 0.00 0.00 0.00 23.12 19.79 1nvm s ALA 216 CO 0.12 -3.31 1.25 0.00 0.00 0.00 0.00 175.76 173.83 1nvm n ALA 217 N -4.55 0.96 -3.25 0.00 0.00 -1.26 -3.85 120.51 108.56 1nvm n ALA 217 Ca 0.05 0.38 -0.11 0.00 0.00 0.00 0.00 53.44 53.76 1nvm n ALA 217 Cb 0.54 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.75 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 -0.91 -1.17 -0.08 0.00 0.00 -1.26 -4.94 121.76 113.40 1nvm s ALA 218 Ca 0.58 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.32 1nvm s ALA 218 Cb -0.61 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 1nvm s ALA 218 CO 0.60 -0.74 1.32 0.34 0.00 0.00 0.00 175.76 177.28 1nvm s ASP 219 N -2.81 6.92 0.15 0.00 -1.08 -1.26 -4.93 116.67 113.67 1nvm s ASP 219 Ca 0.04 1.89 -0.14 0.00 -0.52 0.00 0.00 52.55 53.83 1nvm s ASP 219 Cb -0.00 -2.55 0.04 0.00 -1.46 0.00 0.00 42.92 38.95 1nvm s ASP 219 CO -0.09 -0.72 1.71 1.56 0.52 0.00 0.00 175.17 178.15 1nvm h GLN 220 N 8.06 0.74 -0.43 4.34 4.20 -2.00 -2.46 115.11 127.56 1nvm h GLN 220 Ca -0.33 -0.13 0.08 0.00 0.06 0.00 0.00 58.65 58.33 1nvm h GLN 220 Cb 1.15 -0.12 -0.07 0.00 0.30 0.00 0.00 27.48 28.73 1nvm h GLN 220 CO 0.93 0.65 -0.01 0.00 -0.67 0.00 0.00 178.83 179.73 1nvm h ALA 221 N 1.05 0.39 -0.77 3.87 0.00 -1.99 0.13 119.26 121.95 1nvm h ALA 221 Ca 0.17 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1nvm h ALA 221 Cb 0.18 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1nvm h ALA 221 CO -0.02 -0.39 0.42 0.00 0.00 0.00 0.00 179.25 179.26 1nvm h ALA 222 N 1.38 0.98 -0.32 0.00 0.00 -1.93 -0.75 119.26 118.62 1nvm h ALA 222 Ca 0.21 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1nvm h ALA 222 Cb 0.31 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1nvm h ALA 222 CO -0.36 0.49 0.06 0.28 0.00 0.00 0.00 179.25 179.72 1nvm h VAL 223 N 1.06 1.23 -0.17 0.00 2.07 -0.88 -1.64 116.25 117.92 1nvm h VAL 223 Ca 0.27 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 1nvm h VAL 223 Cb 0.03 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1nvm h VAL 223 CO -0.04 0.26 -0.07 0.00 0.02 0.00 0.00 177.57 177.73 1nvm h ALA 224 N 0.90 1.58 0.01 1.67 0.00 -0.24 -1.58 119.26 121.60 1nvm h ALA 224 Ca 0.10 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 1nvm h ALA 224 Cb 0.32 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1nvm h ALA 224 CO 0.00 0.31 -0.87 0.00 0.00 0.00 0.00 179.25 178.69 1nvm h ALA 225 N 1.69 0.55 -0.23 0.00 0.00 -1.05 -1.86 119.26 118.36 1nvm h ALA 225 Ca 0.05 -0.74 -0.05 0.00 0.00 0.00 0.00 54.91 54.17 1nvm h ALA 225 Cb 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1nvm h ALA 225 CO 0.01 0.96 -0.05 1.03 0.00 0.00 0.00 179.25 181.21 1nvm h SER 226 N 0.07 0.45 -0.30 0.00 0.87 -0.88 -1.26 113.55 112.49 1nvm h SER 226 Ca -0.03 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1nvm h SER 226 Cb 1.50 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.33 1nvm h SER 226 CO 0.13 0.70 0.19 0.58 -0.53 0.00 0.00 176.83 177.90 1nvm h VAL 227 N 0.19 1.09 -0.97 2.23 2.07 -1.26 -1.72 116.25 117.88 1nvm h VAL 227 Ca 0.06 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.46 1nvm h VAL 227 Cb 0.51 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 1nvm h VAL 227 CO 0.02 0.09 0.63 0.00 0.02 0.00 0.00 177.57 178.33 1nvm h ALA 228 N 1.09 1.46 -0.43 1.67 0.00 -1.18 0.20 119.26 122.06 1nvm h ALA 228 Ca 0.11 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1nvm h ALA 228 Cb -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1nvm h ALA 228 CO -0.02 0.39 -0.28 1.49 0.00 0.00 0.00 179.25 180.82 1nvm h GLU 229 N 1.11 0.96 -0.28 0.00 4.22 -1.09 -2.22 114.58 117.29 1nvm h GLU 229 Ca 0.43 -0.45 -0.12 0.00 0.08 0.00 0.00 59.36 59.30 1nvm h GLU 229 Cb 0.21 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1nvm h GLU 229 CO -0.17 1.12 -0.32 1.98 -2.18 0.00 0.00 179.01 179.43 1nvm h MET 230 N 0.80 0.58 -0.57 1.92 4.05 -0.55 -0.84 114.93 120.31 1nvm h MET 230 Ca 0.09 -0.26 -0.03 0.00 -0.28 0.00 0.00 59.70 59.22 1nvm h MET 230 Cb 0.87 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.63 1nvm h MET 230 CO 0.08 0.83 0.23 0.28 0.23 0.00 0.00 176.91 178.56 1nvm h VAL 231 N 0.50 1.22 -0.87 -5.77 2.07 -0.45 -0.89 116.25 112.06 1nvm h VAL 231 Ca 0.06 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 1nvm h VAL 231 Cb 0.80 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1nvm h VAL 231 CO 0.07 0.27 0.45 -0.61 0.02 0.00 0.00 177.57 177.76 1nvm h GLN 232 N 0.79 1.23 -0.81 1.57 4.15 -1.16 -0.86 115.11 120.01 1nvm h GLN 232 Ca 0.19 -0.16 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 1nvm h GLN 232 Cb 0.20 -0.23 -0.04 0.00 0.21 0.00 0.00 27.48 27.62 1nvm h GLN 232 CO -0.02 0.92 0.38 0.00 -1.93 0.00 0.00 178.83 178.18 1nvm h ALA 233 N 1.27 1.05 -0.35 3.38 0.00 -0.70 -2.54 119.26 121.37 1nvm h ALA 233 Ca 0.30 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1nvm h ALA 233 Cb 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1nvm h ALA 233 CO -0.04 0.63 -0.25 0.28 0.00 0.00 0.00 179.25 179.86 1nvm h VAL 234 N 1.16 1.27 0.00 0.00 2.07 -0.66 -2.80 116.25 117.29 1nvm h VAL 234 Ca 0.28 -1.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 1nvm h VAL 234 Cb 0.14 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1nvm h VAL 234 CO -0.03 0.45 -0.00 1.56 0.02 0.00 0.00 177.57 179.56 1nvm h GLN 235 N 0.61 0.00 0.00 1.57 4.20 -0.76 -0.88 115.11 119.86 1nvm h GLN 235 Ca 0.08 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1nvm h GLN 235 Cb 0.75 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.53 1nvm h GLN 235 CO 0.06 0.00 -0.04 0.00 -0.67 0.00 0.00 178.83 178.18 1nvm h ALA 236 N 2.00 1.07 0.00 3.87 0.00 -1.23 -3.06 119.26 121.91 1nvm h ALA 236 Ca -0.00 -0.04 -0.36 0.00 0.00 0.00 0.00 54.91 54.52 1nvm h ALA 236 Cb 0.23 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 1nvm h ALA 236 CO 0.00 0.05 -2.27 0.66 0.00 0.00 0.00 179.25 177.69 1nvm n TYR 237 N -3.24 0.00 -3.79 0.00 4.01 -0.42 -4.90 117.16 108.82 1nvm n TYR 237 Ca -0.01 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.43 1nvm n TYR 237 Cb 0.22 -0.84 -0.14 0.00 -0.31 0.00 0.00 39.34 38.27 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 -2.43 1.41 0.38 -0.72 1.01 -0.68 -4.96 120.40 114.40 1nvm s VAL 238 Ca -0.31 -2.11 0.37 0.00 0.00 0.00 0.00 61.98 59.93 1nvm s VAL 238 Cb 0.10 -2.02 0.39 0.00 0.00 0.00 0.00 36.38 34.85 1nvm s VAL 238 CO 0.47 -0.75 2.15 -0.65 0.00 0.00 0.00 175.10 176.31 1nvm h PRO 239 N 7.40 0.00 -0.00 2.72 0.11 -1.81 -2.38 132.00 138.04 1nvm h PRO 239 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1nvm h PRO 239 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1nvm h PRO 239 CO 0.50 0.03 -0.03 0.41 -0.21 0.00 0.00 178.00 178.69 1nvm n GLY 240 N -0.54 -0.96 3.69 -0.55 0.00 -1.25 -4.80 105.19 100.78 1nvm n GLY 240 Ca -0.01 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.27 3.50 0.20 1.61 6.14 -0.89 -0.99 117.35 124.64 1nvm s TYR 241 Ca 0.37 1.48 -0.22 0.00 0.64 0.00 0.00 57.07 59.34 1nvm s TYR 241 Cb 0.21 -3.10 0.05 0.00 0.42 0.00 0.00 41.96 39.54 1nvm s TYR 241 CO 0.42 -0.19 0.62 -0.98 0.64 0.00 0.00 175.55 176.06 1nvm s ARG 242 N 1.88 1.44 0.22 4.97 1.70 -0.67 -4.75 118.95 123.74 1nvm s ARG 242 Ca 0.45 -0.68 -0.30 0.00 -0.47 0.00 0.00 55.73 54.73 1nvm s ARG 242 Cb -0.18 0.58 -0.09 0.00 -0.57 0.00 0.00 34.95 34.70 1nvm s ARG 242 CO 0.17 -0.64 1.22 -0.51 -1.08 0.00 0.00 175.30 174.46 1nvm s LEU 243 N -2.82 4.45 -0.01 -1.89 1.43 -1.26 -1.29 118.68 117.29 1nvm s LEU 243 Ca 0.05 2.32 0.17 0.00 -1.03 0.00 0.00 54.13 55.64 1nvm s LEU 243 Cb -0.02 -3.61 -0.19 0.00 0.03 0.00 0.00 46.19 42.39 1nvm s LEU 243 CO -0.06 -0.39 0.63 1.17 0.23 0.00 0.00 176.35 177.94 1nvm n LYS 244 N 2.17 0.64 -4.24 1.70 3.00 0.50 -4.82 118.16 117.11 1nvm n LYS 244 Ca 0.03 0.16 -0.14 0.00 -0.00 0.00 0.00 58.31 58.37 1nvm n LYS 244 Cb 0.44 -1.73 -0.10 0.00 0.00 0.00 0.00 35.03 33.64 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 -2.84 1.17 0.58 1.64 -1.52 -1.17 -5.06 119.66 112.47 1nvm s GLN 245 Ca -0.05 -1.59 -0.18 0.00 -1.95 0.00 0.00 55.36 51.59 1nvm s GLN 245 Cb 0.08 -0.12 -0.04 0.00 -0.22 0.00 0.00 33.01 32.71 1nvm s GLN 245 CO 0.83 -0.23 1.13 -0.65 -0.25 0.00 0.00 175.29 176.12 1nvm s GLN 246 N -4.00 3.15 0.28 2.91 -1.52 -1.26 -4.60 119.66 114.63 1nvm s GLN 246 Ca 0.30 1.57 -0.30 0.00 -1.95 0.00 0.00 55.36 54.98 1nvm s GLN 246 Cb 0.07 -1.98 -0.12 0.00 -0.22 0.00 0.00 33.01 30.76 1nvm s GLN 246 CO 0.07 -1.00 1.53 0.28 -0.25 0.00 0.00 175.29 175.92 1nvm n VAL 247 N -1.65 1.08 -4.22 1.09 0.31 -1.26 -4.77 118.33 108.91 1nvm n VAL 247 Ca 0.11 -0.27 -0.31 0.00 -0.01 0.00 0.00 64.34 63.87 1nvm n VAL 247 Cb 0.51 -1.82 -0.09 0.00 -0.91 0.00 0.00 33.84 31.53 1nvm n VAL 247 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1nvm s GLN 248 N -0.60 2.48 -0.00 5.55 -1.52 0.14 -4.95 119.66 120.76 1nvm s GLN 248 Ca 0.64 -0.83 0.03 0.00 -1.95 0.00 0.00 55.36 53.25 1nvm s GLN 248 Cb -0.54 -2.50 -0.01 0.00 -0.22 0.00 0.00 33.01 29.75 1nvm s GLN 248 CO 0.50 0.55 -0.11 -0.06 -0.25 0.00 0.00 175.29 175.92 1nvm s PHE 249 N -1.21 0.97 -0.11 0.91 0.08 -1.26 -0.57 117.98 116.79 1nvm s PHE 249 Ca 0.23 -0.20 -0.01 0.00 0.12 0.00 0.00 56.93 57.06 1nvm s PHE 249 Cb -0.11 -0.62 0.03 0.00 -0.57 0.00 0.00 43.02 41.75 1nvm s PHE 249 CO 0.15 -0.01 -0.04 -0.51 -0.10 0.00 0.00 175.22 174.70 1nvm s ASP 250 N -0.37 2.06 0.14 1.36 1.01 0.01 -4.98 116.67 115.90 1nvm s ASP 250 Ca 0.03 -0.28 -0.30 0.00 0.71 0.00 0.00 52.55 52.71 1nvm s ASP 250 Cb -0.05 -0.69 -0.07 0.00 1.01 0.00 0.00 42.92 43.13 1nvm s ASP 250 CO -0.00 -0.16 1.01 -0.69 0.21 0.00 0.00 175.17 175.53 1nvm s VAL 251 N 1.80 4.26 -0.34 -1.27 1.01 -1.26 -0.89 120.40 123.72 1nvm s VAL 251 Ca 0.04 1.92 0.03 0.00 0.00 0.00 0.00 61.98 63.97 1nvm s VAL 251 Cb -0.13 -4.22 0.09 0.00 0.00 0.00 0.00 36.38 32.12 1nvm s VAL 251 CO -0.07 0.31 0.04 -0.63 0.00 0.00 0.00 175.10 174.76 1nvm s ILE 252 N -0.13 2.44 0.75 2.22 1.01 -0.44 -4.95 121.20 122.09 1nvm s ILE 252 Ca 0.48 -2.15 -0.11 0.00 0.00 0.00 0.00 60.65 58.87 1nvm s ILE 252 Cb -0.26 -2.71 0.04 0.00 0.01 0.00 0.00 42.46 39.55 1nvm s ILE 252 CO 0.32 -0.50 1.09 -2.16 0.00 0.00 0.00 174.94 173.68 1nvm s PRO 253 N 0.98 2.44 0.41 2.79 0.05 -1.26 -0.74 135.00 139.67 1nvm s PRO 253 Ca 0.07 1.14 0.29 0.00 0.05 0.00 0.00 61.00 62.55 1nvm s PRO 253 Cb -0.20 -1.92 1.19 0.00 0.05 0.00 0.00 34.50 33.62 1nvm s PRO 253 CO -0.07 -1.50 1.85 1.49 0.05 0.00 0.00 177.00 178.83 1nvm h GLU 254 N -0.95 0.00 -0.00 4.56 4.57 -1.96 -1.73 114.58 119.07 1nvm h GLU 254 Ca -0.44 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 1nvm h GLU 254 Cb 1.23 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1nvm h GLU 254 CO 0.53 0.00 -0.06 -1.13 -1.18 0.00 0.00 179.01 177.17 1nvm n SER 255 N -2.67 0.31 -2.93 1.04 3.41 -1.26 -4.18 113.62 107.34 1nvm n SER 255 Ca 0.01 -0.56 -0.14 0.00 -0.26 0.00 0.00 58.87 57.93 1nvm n SER 255 Cb 0.26 -0.12 0.01 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.01 0.20 -1.38 7.33 0.00 -0.66 -5.14 120.51 119.85 1nvm n ALA 256 Ca 0.16 -2.22 -0.30 0.00 0.00 0.00 0.00 53.44 51.08 1nvm n ALA 256 Cb 0.24 -1.11 0.12 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.29 1.55 -0.24 0.00 0.04 -1.19 -4.34 135.00 130.54 1nvm s PRO 257 Ca 0.32 0.68 -0.10 0.00 0.04 0.00 0.00 61.00 61.94 1nvm s PRO 257 Cb 0.24 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.87 1nvm s PRO 257 CO -0.15 -2.00 0.15 -1.17 0.04 0.00 0.00 177.00 173.87 1nvm s LEU 258 N -6.03 4.08 -0.20 -3.56 2.96 0.76 -4.86 118.68 111.83 1nvm s LEU 258 Ca 0.62 0.10 -0.17 0.00 -0.22 0.00 0.00 54.13 54.46 1nvm s LEU 258 Cb -0.16 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.40 1nvm s LEU 258 CO 0.55 0.06 0.48 0.21 -1.32 0.00 0.00 176.35 176.33 1nvm s ASN 259 N 1.06 6.51 -0.28 3.68 2.47 -1.26 -0.94 114.94 126.18 1nvm s ASN 259 Ca 0.07 0.61 0.01 0.00 0.42 0.00 0.00 52.86 53.96 1nvm s ASN 259 Cb -0.14 -2.27 0.05 0.00 -1.45 0.00 0.00 41.25 37.45 1nvm s ASN 259 CO 0.04 -0.15 -0.05 -0.63 -3.72 0.00 0.00 177.10 172.59 1nvm s ILE 260 N 1.57 2.58 -0.13 -5.21 1.01 -0.34 -5.02 121.20 115.66 1nvm s ILE 260 Ca 0.22 -1.51 -0.35 0.00 0.00 0.00 0.00 60.65 59.00 1nvm s ILE 260 Cb -0.15 -2.50 -0.12 0.00 0.01 0.00 0.00 42.46 39.69 1nvm s ILE 260 CO 0.09 -0.07 1.87 -0.81 0.00 0.00 0.00 174.94 176.02 1nvm n PRO 261 N 4.53 1.96 -0.79 2.79 -0.04 -1.26 -0.96 135.00 141.22 1nvm n PRO 261 Ca -0.14 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.04 1nvm n PRO 261 Cb 0.43 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 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 4.44 1.23 0.31 0.55 0.00 -1.26 -4.81 105.19 105.65 1nvm n GLY 262 Ca 0.24 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.10 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 1.91 0.00 0.99 7.94 -0.14 -5.13 117.00 122.57 1nvm n LEU 263 Ca 0.00 0.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.00 1nvm n LEU 263 Cb 0.00 -0.54 0.00 0.00 0.53 0.00 0.00 43.42 43.41 1nvm n LEU 263 CO 0.00 0.53 0.00 0.61 -1.11 0.00 0.00 177.39 177.42 1nvm n GLY 264 N 2.20 0.64 3.19 -3.96 0.00 -0.81 -5.01 105.19 101.45 1nvm n GLY 264 Ca -0.33 -1.31 -0.36 0.00 0.00 0.00 0.00 46.02 44.03 1nvm n GLY 264 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nvm s ARG 265 N -1.93 2.46 0.19 1.61 0.52 -1.26 -1.20 118.95 119.34 1nvm s ARG 265 Ca 0.00 -1.26 0.07 0.00 -0.52 0.00 0.00 55.73 54.02 1nvm s ARG 265 Cb 0.00 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 32.18 1nvm s ARG 265 CO 0.00 -0.64 0.01 -0.06 0.02 0.00 0.00 175.30 174.63 1nvm s PHE 266 N 1.28 2.85 0.22 -0.53 0.08 -0.11 -4.86 117.98 116.91 1nvm s PHE 266 Ca -0.04 -0.14 -0.00 0.00 0.12 0.00 0.00 56.93 56.87 1nvm s PHE 266 Cb -0.20 -1.37 -0.04 0.00 -0.57 0.00 0.00 43.02 40.84 1nvm s PHE 266 CO -0.00 0.53 0.12 -1.54 -0.10 0.00 0.00 175.22 174.22 1nvm s SER 267 N -3.06 0.44 0.00 1.36 1.04 -1.26 -0.17 113.70 112.04 1nvm s SER 267 Ca 0.28 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.33 1nvm s SER 267 Cb -0.09 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1nvm s SER 267 CO 0.19 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.21 1nvm n GLY 268 N -0.32 0.51 2.84 7.32 0.00 0.08 -4.54 105.19 111.08 1nvm n GLY 268 Ca 0.01 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 45.01 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 1.49 -0.23 0.99 2.96 0.61 -1.32 118.68 123.18 1nvm s LEU 269 Ca 0.00 -0.01 -0.09 0.00 -0.22 0.00 0.00 54.13 53.82 1nvm s LEU 269 Cb 0.00 -0.11 -0.04 0.00 0.50 0.00 0.00 46.19 46.53 1nvm s LEU 269 CO 0.00 -0.06 0.11 -0.75 -1.32 0.00 0.00 176.35 174.33 1nvm s LYS 270 N 0.59 3.88 -0.14 1.98 2.20 -0.07 -0.38 119.74 127.81 1nvm s LYS 270 Ca -0.05 -0.37 -0.02 0.00 -0.36 0.00 0.00 55.97 55.17 1nvm s LYS 270 Cb -0.08 -3.40 -0.02 0.00 -1.51 0.00 0.00 37.83 32.82 1nvm s LYS 270 CO -0.01 -0.01 -0.08 0.99 -0.36 0.00 0.00 175.35 175.88 1nvm s THR 271 N 1.18 3.49 -0.12 3.43 2.01 0.45 -0.81 115.64 125.28 1nvm s THR 271 Ca 0.06 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.58 1nvm s THR 271 Cb -0.14 -2.50 0.01 0.00 0.01 0.00 0.00 72.50 69.88 1nvm s THR 271 CO 0.04 0.51 -0.21 -0.44 -0.69 0.00 0.00 174.62 173.84 1nvm s SER 272 N 0.27 2.93 -0.13 3.53 0.01 0.26 -0.18 113.70 120.39 1nvm s SER 272 Ca -0.06 -0.55 0.02 0.00 1.31 0.00 0.00 55.95 56.67 1nvm s SER 272 Cb -0.15 -1.34 0.01 0.00 0.21 0.00 0.00 66.02 64.75 1nvm s SER 272 CO 0.04 0.09 -0.20 -0.69 0.41 0.00 0.00 173.24 172.89 1nvm s VAL 273 N 0.70 1.86 -0.33 3.43 1.01 0.00 -0.68 120.40 126.39 1nvm s VAL 273 Ca -0.11 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 1nvm s VAL 273 Cb -0.16 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 34.59 1nvm s VAL 273 CO 0.02 0.51 0.10 -0.36 0.00 0.00 0.00 175.10 175.37 1nvm s PHE 274 N 0.87 3.24 0.26 5.22 0.40 -1.26 -0.49 117.98 126.21 1nvm s PHE 274 Ca -0.07 -1.35 0.07 0.00 -0.60 0.00 0.00 56.93 54.99 1nvm s PHE 274 Cb -0.15 -2.28 -0.04 0.00 0.51 0.00 0.00 43.02 41.06 1nvm s PHE 274 CO -0.02 -0.71 0.18 -0.51 0.70 0.00 0.00 175.22 174.87 1nvm s LEU 275 N 1.42 3.75 -0.00 -0.37 1.43 0.11 -0.37 118.68 124.64 1nvm s LEU 275 Ca -0.01 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1nvm s LEU 275 Cb -0.19 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.75 1nvm s LEU 275 CO 0.03 -0.05 -0.02 -1.83 0.23 0.00 0.00 176.35 174.71 1nvm s GLU 276 N -3.84 0.16 -0.23 1.70 -1.05 -0.41 -1.75 118.70 113.28 1nvm s GLU 276 Ca 0.33 -0.05 0.00 0.00 -0.15 0.00 0.00 54.97 55.10 1nvm s GLU 276 Cb -0.08 -0.18 0.06 0.00 -0.44 0.00 0.00 34.13 33.50 1nvm s GLU 276 CO 0.25 0.02 -0.04 0.08 0.95 0.00 0.00 175.26 176.52 1nvm s VAL 277 N 0.06 1.35 -0.02 1.83 1.01 -0.57 -1.67 120.40 122.39 1nvm s VAL 277 Ca -0.00 -1.10 -0.14 0.00 0.00 0.00 0.00 61.98 60.74 1nvm s VAL 277 Cb -0.02 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 1nvm s VAL 277 CO -0.00 -0.12 0.37 -0.70 0.00 0.00 0.00 175.10 174.65 1nvm s GLU 278 N 1.48 3.86 0.50 2.72 2.12 -0.16 -3.06 118.70 126.15 1nvm s GLU 278 Ca -0.05 0.34 0.09 0.00 0.36 0.00 0.00 54.97 55.71 1nvm s GLU 278 Cb -0.19 -3.22 0.05 0.00 0.26 0.00 0.00 34.13 31.03 1nvm s GLU 278 CO -0.06 0.70 0.65 0.20 -0.54 0.00 0.00 175.26 176.21 1nvm s GLY 279 N -1.05 1.88 0.13 -1.50 0.00 0.16 -3.81 107.32 103.13 1nvm s GLY 279 Ca 0.23 -1.89 0.23 0.00 0.00 0.00 0.00 44.72 43.28 1nvm s GLY 279 CO 0.12 -1.61 1.70 0.00 0.00 0.00 0.00 173.10 173.30 1nvm n ALA 280 N -2.01 1.91 -3.48 3.20 0.00 -1.26 -4.57 120.51 114.30 1nvm n ALA 280 Ca 0.11 -0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.33 1nvm n ALA 280 Cb 0.61 -1.38 0.08 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.65 -1.32 0.10 0.00 0.00 -1.26 -4.92 120.51 111.47 1nvm n ALA 281 Ca 0.04 0.30 -0.03 0.00 0.00 0.00 0.00 53.44 53.75 1nvm n ALA 281 Cb 0.27 -4.65 0.03 0.00 0.00 0.00 0.00 19.45 15.10 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 -2.37 0.00 0.00 0.00 3.86 -1.92 -3.42 115.15 111.30 1nvm h HIS 282 Ca -0.53 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.68 1nvm h HIS 282 Cb 1.34 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.81 1nvm h HIS 282 CO 0.45 0.78 0.00 0.98 0.86 0.00 0.00 177.93 181.00 1nvm n TYR 283 N -3.52 -0.88 -3.02 2.45 9.36 -1.26 -4.98 117.16 115.32 1nvm n TYR 283 Ca -0.00 0.15 -0.17 0.00 3.32 0.00 0.00 57.90 61.20 1nvm n TYR 283 Cb 0.78 0.21 0.01 0.00 -0.63 0.00 0.00 39.34 39.71 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 -6.84 3.66 1.35 2.98 1.43 -1.26 -5.10 118.68 114.90 1nvm s LEU 284 Ca 0.00 -0.41 -0.21 0.00 -1.03 0.00 0.00 54.13 52.49 1nvm s LEU 284 Cb 0.00 -2.67 0.34 0.00 0.03 0.00 0.00 46.19 43.89 1nvm s LEU 284 CO 0.00 -0.76 0.98 -2.84 0.23 0.00 0.00 176.35 173.96 1nvm s PRO 285 N -4.35 -2.37 0.52 1.29 0.02 -1.26 -3.99 135.00 124.86 1nvm s PRO 285 Ca 0.55 0.18 0.21 0.00 0.02 0.00 0.00 61.00 61.96 1nvm s PRO 285 Cb -0.10 -1.44 1.40 0.00 0.02 0.00 0.00 34.50 34.38 1nvm s PRO 285 CO 0.33 -4.52 2.14 0.00 -0.33 0.00 0.00 177.00 174.61 1nvm h ALA 286 N -3.17 1.69 -0.28 -1.55 0.00 -1.91 -2.61 119.26 111.44 1nvm h ALA 286 Ca -0.46 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.47 1nvm h ALA 286 Cb 1.33 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1nvm h ALA 286 CO 0.32 0.07 0.20 0.10 0.00 0.00 0.00 179.25 179.95 1nvm h TYR 287 N 0.00 0.02 -0.08 0.00 -0.00 -1.90 0.46 116.97 115.48 1nvm h TYR 287 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 58.73 58.36 1nvm h TYR 287 Cb 0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 36.73 36.80 1nvm h TYR 287 CO 0.00 0.01 1.07 0.00 -0.00 0.00 0.00 178.16 179.24 1nvm n ALA 288 N -2.59 6.78 0.33 0.10 0.00 -0.98 -2.20 120.51 121.94 1nvm n ALA 288 Ca 0.04 -2.48 0.14 0.00 0.00 0.00 0.00 53.44 51.14 1nvm n ALA 288 Cb 0.35 -2.66 0.62 0.00 0.00 0.00 0.00 19.45 17.76 1nvm n ALA 288 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1nvm h GLY 289 N 5.60 0.00 1.72 0.00 0.00 -1.63 -1.83 103.07 106.92 1nvm h GLY 289 Ca 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 1nvm h GLY 289 CO 0.79 0.00 0.15 3.45 0.00 0.00 0.00 176.54 180.92 1nvm h ASN 290 N 0.00 0.33 0.18 0.19 -1.07 -1.81 0.13 115.58 113.54 1nvm h ASN 290 Ca 0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 56.30 56.34 1nvm h ASN 290 Cb 0.35 -0.08 0.00 0.00 -2.07 0.00 0.00 38.32 36.52 1nvm h ASN 290 CO 0.00 0.28 -0.09 -0.07 0.07 0.00 0.00 177.43 177.62 1nvm h LEU 291 N 0.38 -0.21 -0.79 6.14 3.38 -1.70 -3.33 115.31 119.18 1nvm h LEU 291 Ca 0.10 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.81 1nvm h LEU 291 Cb 0.02 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1nvm h LEU 291 CO -0.02 0.30 0.48 0.44 0.09 0.00 0.00 178.44 179.73 1nvm h ASP 292 N -0.80 0.73 -0.16 -0.43 3.45 -1.54 -0.44 116.42 117.24 1nvm h ASP 292 Ca -0.02 0.02 0.03 0.00 0.43 0.00 0.00 57.03 57.49 1nvm h ASP 292 Cb 0.52 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.15 1nvm h ASP 292 CO 0.04 0.47 0.11 -0.29 -1.57 0.00 0.00 179.24 178.00 1nvm h ILE 293 N 0.87 0.96 0.00 0.35 6.09 -0.89 -1.19 117.51 123.70 1nvm h ILE 293 Ca 0.35 -0.02 -0.05 0.00 -1.37 0.00 0.00 64.86 63.77 1nvm h ILE 293 Cb 0.19 0.88 -0.01 0.00 0.47 0.00 0.00 36.82 38.35 1nvm h ILE 293 CO -0.18 0.01 -0.36 -0.03 -3.07 0.00 0.00 178.15 174.53 1nvm h MET 294 N 0.07 0.00 -0.60 2.19 4.05 -1.38 -3.31 114.93 115.95 1nvm h MET 294 Ca 0.07 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.44 1nvm h MET 294 Cb 0.19 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.97 1nvm h MET 294 CO -0.01 0.55 0.19 1.79 0.23 0.00 0.00 176.91 179.66 1nvm h THR 295 N -1.00 1.23 -0.37 -0.77 1.35 -1.03 0.56 112.91 112.87 1nvm h THR 295 Ca -0.08 -0.79 -0.10 0.00 -0.55 0.00 0.00 66.41 64.90 1nvm h THR 295 Cb 0.71 0.57 -0.02 0.00 -1.73 0.00 0.00 68.15 67.68 1nvm h THR 295 CO -0.05 0.30 -0.17 0.28 -0.25 0.00 0.00 175.52 175.64 1nvm h SER 296 N 0.88 0.68 -0.20 5.36 0.02 -1.43 -0.38 113.55 118.49 1nvm h SER 296 Ca 0.20 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1nvm h SER 296 Cb 0.25 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1nvm h SER 296 CO -0.01 0.86 0.05 0.00 -1.14 0.00 0.00 176.83 176.59 1nvm h ALA 297 N 1.20 0.26 -0.62 3.77 0.00 -1.40 -1.06 119.26 121.41 1nvm h ALA 297 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1nvm h ALA 297 Cb 0.63 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1nvm h ALA 297 CO 0.04 -0.10 0.39 0.00 0.00 0.00 0.00 179.25 179.58 1nvm h ALA 298 N 0.86 0.78 -0.33 0.00 0.00 -0.74 -1.64 119.26 118.20 1nvm h ALA 298 Ca 0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1nvm h ALA 298 Cb 0.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1nvm h ALA 298 CO 0.00 0.24 0.03 1.25 0.00 0.00 0.00 179.25 180.77 1nvm h LEU 299 N 0.84 0.55 -1.09 0.00 5.85 -1.06 -1.92 115.31 118.48 1nvm h LEU 299 Ca 0.22 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.70 1nvm h LEU 299 Cb -0.06 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.77 1nvm h LEU 299 CO -0.04 0.69 0.62 0.00 -0.34 0.00 0.00 178.44 179.37 1nvm h ALA 300 N 0.88 1.41 -0.24 1.25 0.00 -1.01 0.92 119.26 122.46 1nvm h ALA 300 Ca 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1nvm h ALA 300 Cb 0.39 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1nvm h ALA 300 CO 0.01 0.49 -0.01 1.15 0.00 0.00 0.00 179.25 180.89 1nvm h THR 301 N 1.17 1.26 -0.22 0.00 2.02 -1.05 -2.37 112.91 113.71 1nvm h THR 301 Ca 0.38 -0.93 -0.12 0.00 0.77 0.00 0.00 66.41 66.50 1nvm h THR 301 Cb 0.04 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1nvm h THR 301 CO -0.12 0.29 -0.38 0.00 0.37 0.00 0.00 175.52 175.68 1nvm h ALA 302 N 0.79 0.92 -0.06 6.16 0.00 -0.92 -1.83 119.26 124.33 1nvm h ALA 302 Ca 0.07 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.56 1nvm h ALA 302 Cb 0.43 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1nvm h ALA 302 CO 0.01 0.63 -0.00 0.93 0.00 0.00 0.00 179.25 180.82 1nvm h GLU 303 N 0.42 0.01 -0.52 0.00 4.39 -0.77 0.20 114.58 118.32 1nvm h GLU 303 Ca 0.04 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 1nvm h GLU 303 Cb 0.86 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 1nvm h GLU 303 CO 0.07 0.01 0.13 -0.09 -1.16 0.00 0.00 179.01 177.97 1nvm h ARG 304 N 0.02 0.78 -0.34 2.33 9.65 -1.24 0.77 114.38 126.35 1nvm h ARG 304 Ca 0.03 -0.15 -0.10 0.00 -1.10 0.00 0.00 59.98 58.66 1nvm h ARG 304 Cb 0.03 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.48 1nvm h ARG 304 CO -0.05 0.70 -0.16 0.52 2.80 0.00 0.00 179.97 183.78 1nvm h MET 305 N 0.76 0.71 -0.34 0.20 2.86 -1.03 -2.05 114.93 116.04 1nvm h MET 305 Ca 0.17 -0.31 -0.04 0.00 -2.06 0.00 0.00 59.70 57.45 1nvm h MET 305 Cb 0.27 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1nvm h MET 305 CO -0.00 0.92 0.05 0.00 1.06 0.00 0.00 176.91 178.93 1nvm h ALA 306 N 0.78 0.45 -0.84 6.32 0.00 -0.09 -1.65 119.26 124.23 1nvm h ALA 306 Ca 0.08 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.85 1nvm h ALA 306 Cb 0.70 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1nvm h ALA 306 CO 0.05 0.16 0.55 0.37 0.00 0.00 0.00 179.25 180.38 1nvm h GLN 307 N 0.39 0.86 0.00 0.00 4.15 -0.86 -1.62 115.11 118.03 1nvm h GLN 307 Ca 0.10 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1nvm h GLN 307 Cb 0.37 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.87 1nvm h GLN 307 CO 0.01 0.57 -0.06 -1.13 -1.93 0.00 0.00 178.83 176.29 1nvm n SER 308 N -4.50 0.79 0.18 -0.69 3.41 -0.78 -2.81 113.62 109.23 1nvm n SER 308 Ca 0.13 0.53 0.14 0.00 -0.26 0.00 0.00 58.87 59.41 1nvm n SER 308 Cb 0.25 -0.70 0.46 0.00 -0.26 0.00 0.00 64.21 63.96 1nvm n SER 308 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1nvm h MET 309 N 0.00 0.00 0.00 4.33 2.86 -0.32 -3.51 114.93 118.29 1nvm h MET 309 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1nvm h MET 309 Cb 0.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.39 1nvm h MET 309 CO 0.00 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.25