#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n0m h ASP 3 N 0.00 -0.53 -0.91 6.41 3.32 -2.04 -0.69 116.42 121.97 3n0m h ASP 3 Ca 0.00 -0.02 0.24 0.00 0.02 0.00 0.00 57.03 57.27 3n0m h ASP 3 Cb 0.00 0.14 -0.13 0.00 0.22 0.00 0.00 39.33 39.56 3n0m h ASP 3 CO 0.00 -0.33 0.40 0.40 -1.72 0.00 0.00 179.24 177.99 3n0m h ILE 4 N -0.69 0.43 -0.15 0.35 2.04 -1.96 0.26 117.51 117.78 3n0m h ILE 4 Ca -0.06 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 3n0m h ILE 4 Cb 0.51 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3n0m h ILE 4 CO 0.11 0.07 0.02 -0.37 0.00 0.00 0.00 178.15 177.97 3n0m h VAL 5 N 0.37 1.23 -0.84 1.67 -1.51 -1.83 -3.15 116.25 112.19 3n0m h VAL 5 Ca 0.59 -0.74 -0.03 0.00 -1.23 0.00 0.00 66.70 65.28 3n0m h VAL 5 Cb 1.16 1.42 -0.04 0.00 -2.13 0.00 0.00 31.29 31.71 3n0m h VAL 5 CO -0.56 0.22 0.39 0.00 -1.23 0.00 0.00 177.57 176.39 3n0m h ALA 6 N 0.80 1.10 -0.03 5.19 0.00 0.67 -2.73 119.26 124.26 3n0m h ALA 6 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3n0m h ALA 6 Cb 0.32 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3n0m h ALA 6 CO 0.00 0.67 0.00 -1.13 0.00 0.00 0.00 179.25 178.79 3n0m n SER 7 N -4.30 0.65 -4.19 0.00 3.41 0.67 -4.75 113.62 105.11 3n0m n SER 7 Ca 0.08 -2.02 -0.31 0.00 -0.26 0.00 0.00 58.87 56.37 3n0m n SER 7 Cb 0.15 -0.24 -0.17 0.00 -0.26 0.00 0.00 64.21 63.69 3n0m n SER 7 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3n0m s THR 8 N -1.56 1.90 -0.09 6.66 2.01 -1.03 -4.95 115.64 118.58 3n0m s THR 8 Ca 0.02 -0.93 -0.12 0.00 0.31 0.00 0.00 61.69 60.97 3n0m s THR 8 Cb 0.01 -1.65 -0.09 0.00 0.01 0.00 0.00 72.50 70.78 3n0m s THR 8 CO 0.01 0.53 0.43 -0.61 -0.69 0.00 0.00 174.62 174.28 3n0m h GLN 9 N 6.74 -0.13 -5.33 4.92 5.75 -1.86 -3.47 115.11 121.74 3n0m h GLN 9 Ca -0.21 0.01 -0.40 0.00 -0.15 0.00 0.00 58.65 57.90 3n0m h GLN 9 Cb 1.23 0.03 -0.18 0.00 1.07 0.00 0.00 27.48 29.63 3n0m h GLN 9 CO 0.47 0.18 -0.75 -0.51 -2.65 0.00 0.00 178.83 175.56 3n0m s LEU 10 N -8.67 2.40 0.44 -2.39 1.43 -1.26 -5.13 118.68 105.50 3n0m s LEU 10 Ca -0.07 -0.81 -0.25 0.00 -1.03 0.00 0.00 54.13 51.97 3n0m s LEU 10 Cb -0.00 -0.50 -0.08 0.00 0.03 0.00 0.00 46.19 45.64 3n0m s LEU 10 CO 0.27 -0.17 1.28 -2.16 0.23 0.00 0.00 176.35 175.80 3n0m s PRO 11 N -2.69 3.78 0.33 1.29 0.04 -1.26 -4.93 135.00 131.56 3n0m s PRO 11 Ca 0.08 2.07 -0.26 0.00 0.04 0.00 0.00 61.00 62.94 3n0m s PRO 11 Cb -0.05 -2.59 -0.10 0.00 0.04 0.00 0.00 34.50 31.81 3n0m s PRO 11 CO 0.02 -0.62 0.96 -0.80 0.04 0.00 0.00 177.00 176.60 3n0m s ASN 12 N -0.93 7.26 0.27 6.66 0.01 -0.57 -4.90 114.94 122.74 3n0m s ASN 12 Ca 0.61 1.87 0.02 0.00 -0.71 0.00 0.00 52.86 54.65 3n0m s ASN 12 Cb -0.36 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.68 3n0m s ASN 12 CO 0.45 -0.13 0.16 0.42 -1.51 0.00 0.00 177.10 176.49 3n0m s THR 13 N -1.62 0.18 0.23 1.60 -4.23 -1.26 -0.25 115.64 110.29 3n0m s THR 13 Ca 0.51 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.95 3n0m s THR 13 Cb -0.19 -2.52 0.20 0.00 1.34 0.00 0.00 72.50 71.33 3n0m s THR 13 CO 0.25 0.00 1.69 0.40 -0.54 0.00 0.00 174.62 176.41 3n0m h ILE 14 N 2.37 0.55 0.08 2.99 2.04 -1.84 0.13 117.51 123.84 3n0m h ILE 14 Ca -0.34 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 3n0m h ILE 14 Cb 1.25 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 3n0m h ILE 14 CO 0.51 0.05 -0.04 0.50 0.00 0.00 0.00 178.15 179.16 3n0m h LYS 15 N 0.25 -0.11 0.07 2.37 1.63 -1.96 -1.29 116.57 117.53 3n0m h LYS 15 Ca 0.37 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.17 3n0m h LYS 15 Cb 0.60 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.25 3n0m h LYS 15 CO -0.48 -0.01 -0.03 1.79 -3.45 0.00 0.00 179.45 177.27 3n0m h THR 16 N -0.18 1.03 -0.62 1.00 1.35 -1.85 -1.57 112.91 112.06 3n0m h THR 16 Ca -0.01 -0.30 0.08 0.00 -0.55 0.00 0.00 66.41 65.63 3n0m h THR 16 Cb 0.15 1.22 -0.06 0.00 -1.73 0.00 0.00 68.15 67.73 3n0m h THR 16 CO 0.02 0.08 0.28 0.40 -0.25 0.00 0.00 175.52 176.05 3n0m h ILE 17 N -0.22 0.85 -0.53 6.82 2.04 -0.75 -0.92 117.51 124.79 3n0m h ILE 17 Ca -0.01 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.71 3n0m h ILE 17 Cb 0.19 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 3n0m h ILE 17 CO 0.01 0.09 0.30 0.74 0.00 0.00 0.00 178.15 179.30 3n0m h THR 18 N 0.51 1.02 -0.23 -0.27 2.02 -1.03 0.43 112.91 115.36 3n0m h THR 18 Ca 0.30 -0.20 0.05 0.00 0.77 0.00 0.00 66.41 67.32 3n0m h THR 18 Cb 0.31 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 3n0m h THR 18 CO -0.25 0.11 -0.05 0.78 0.37 0.00 0.00 175.52 176.48 3n0m h ASN 19 N 0.59 -0.19 -0.33 4.18 2.35 -0.41 -1.80 115.58 119.97 3n0m h ASN 19 Ca 0.22 0.07 0.03 0.00 -0.55 0.00 0.00 56.30 56.07 3n0m h ASN 19 Cb 0.07 0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 3n0m h ASN 19 CO -0.12 -0.07 0.12 0.44 -1.65 0.00 0.00 177.43 176.15 3n0m h ASP 20 N 0.01 0.15 -0.86 5.81 3.32 -0.84 0.33 116.42 124.34 3n0m h ASP 20 Ca 0.11 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.23 3n0m h ASP 20 Cb 0.16 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 3n0m h ASP 20 CO -0.23 0.12 0.57 -0.07 -1.72 0.00 0.00 179.24 177.91 3n0m h LEU 21 N 0.27 0.91 0.01 1.55 3.38 -0.83 -1.73 115.31 118.86 3n0m h LEU 21 Ca 0.14 -0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.86 3n0m h LEU 21 Cb 0.11 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 40.67 3n0m h LEU 21 CO -0.14 0.62 -0.96 0.03 0.09 0.00 0.00 178.44 178.07 3n0m h ARG 22 N 1.05 0.64 -0.96 1.13 3.08 -0.65 -0.39 114.38 118.29 3n0m h ARG 22 Ca 0.35 -0.70 0.04 0.00 0.07 0.00 0.00 59.98 59.74 3n0m h ARG 22 Cb 0.06 0.20 -0.06 0.00 0.08 0.00 0.00 29.97 30.26 3n0m h ARG 22 CO -0.11 1.29 0.63 0.87 -1.07 0.00 0.00 179.97 181.58 3n0m h LYS 23 N 0.29 1.15 0.00 0.04 1.79 -0.81 -1.51 116.57 117.52 3n0m h LYS 23 Ca -0.12 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.24 3n0m h LYS 23 Cb 1.63 -0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 32.02 3n0m h LYS 23 CO 0.19 0.76 -0.20 1.25 -1.08 0.00 0.00 179.45 180.38 3n0m h LEU 24 N 1.19 0.00 0.00 2.94 5.85 -1.25 -3.47 115.31 120.57 3n0m h LEU 24 Ca 0.39 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.11 3n0m h LEU 24 Cb 0.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.07 3n0m h LEU 24 CO -0.13 0.20 0.00 0.61 -0.34 0.00 0.00 178.44 178.78 3n0m n GLY 25 N 0.05 1.07 3.76 3.75 0.00 -0.57 -4.92 105.19 108.33 3n0m n GLY 25 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3n0m n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n0m s LEU 26 N 0.00 4.43 0.10 0.99 1.02 -0.19 -4.99 118.68 120.04 3n0m s LEU 26 Ca 0.00 2.63 -0.11 0.00 0.02 0.00 0.00 54.13 56.67 3n0m s LEU 26 Cb 0.00 -3.64 0.01 0.00 0.02 0.00 0.00 46.19 42.58 3n0m s LEU 26 CO 0.00 -0.53 0.26 -1.59 0.02 0.00 0.00 176.35 174.52 3n0m s LYS 27 N -1.44 0.90 -0.07 1.70 -2.85 -1.26 -4.28 119.74 112.44 3n0m s LYS 27 Ca 0.51 -0.84 -0.39 0.00 -1.00 0.00 0.00 55.97 54.24 3n0m s LYS 27 Cb -0.39 0.38 -0.17 0.00 -2.06 0.00 0.00 37.83 35.59 3n0m s LYS 27 CO 0.50 -0.31 1.41 1.17 0.10 0.00 0.00 175.35 178.22 3n0m n LYS 28 N -0.05 0.85 -0.78 1.78 4.81 -0.98 -4.47 118.16 119.32 3n0m n LYS 28 Ca -0.16 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 3n0m n LYS 28 Cb 0.63 -1.93 0.00 0.00 0.02 0.00 0.00 35.03 33.75 3n0m n LYS 28 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3n0m n GLY 29 N 2.87 0.34 2.84 3.14 0.00 -0.45 -4.92 105.19 109.01 3n0m n GLY 29 Ca 0.22 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 3n0m n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n0m s THR 31 N -2.52 -0.16 -0.05 2.61 2.01 -1.26 -4.44 115.64 111.83 3n0m s THR 31 Ca 0.00 0.30 -0.03 0.00 0.31 0.00 0.00 61.69 62.27 3n0m s THR 31 Cb 0.00 -0.24 0.02 0.00 0.01 0.00 0.00 72.50 72.29 3n0m s THR 31 CO 0.00 0.12 0.12 0.54 -0.69 0.00 0.00 174.62 174.71 3n0m s VAL 32 N 1.81 -0.03 -0.18 3.82 0.11 -0.07 -0.54 120.40 125.33 3n0m s VAL 32 Ca -0.02 0.09 -0.09 0.00 -2.93 0.00 0.00 61.98 59.04 3n0m s VAL 32 Cb -0.12 -0.19 -0.05 0.00 -1.53 0.00 0.00 36.38 34.50 3n0m s VAL 32 CO -0.05 0.04 0.12 -0.51 -3.33 0.00 0.00 175.10 171.37 3n0m s ILE 33 N 0.61 5.34 -0.05 7.04 2.07 0.49 -0.64 121.20 136.05 3n0m s ILE 33 Ca -0.05 0.16 0.06 0.00 -1.41 0.00 0.00 60.65 59.41 3n0m s ILE 33 Cb -0.06 -3.41 -0.01 0.00 0.13 0.00 0.00 42.46 39.11 3n0m s ILE 33 CO -0.03 0.48 -0.23 -0.69 -1.91 0.00 0.00 174.94 172.57 3n0m s VAL 34 N 0.07 1.88 -0.04 4.00 1.01 -0.37 -0.39 120.40 126.56 3n0m s VAL 34 Ca 0.09 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.13 3n0m s VAL 34 Cb -0.11 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.68 3n0m s VAL 34 CO -0.01 0.53 -0.11 -1.00 0.00 0.00 0.00 175.10 174.51 3n0m s HIS 35 N -0.11 1.20 0.03 5.22 3.76 -0.30 -4.60 115.29 120.48 3n0m s HIS 35 Ca -0.03 -0.33 -0.17 0.00 -0.15 0.00 0.00 55.06 54.37 3n0m s HIS 35 Cb -0.13 -0.85 0.03 0.00 1.11 0.00 0.00 32.58 32.74 3n0m s HIS 35 CO 0.03 -0.14 0.37 -1.54 -0.85 0.00 0.00 174.74 172.62 3n0m s SER 36 N 0.23 -0.24 -0.23 1.40 1.04 -1.26 -0.25 113.70 114.39 3n0m s SER 36 Ca -0.05 -0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.38 3n0m s SER 36 Cb -0.10 0.39 0.03 0.00 0.10 0.00 0.00 66.02 66.44 3n0m s SER 36 CO 0.01 -0.61 -0.11 -0.55 0.98 0.00 0.00 173.24 172.96 3n0m s SER 37 N -1.87 4.03 0.17 7.02 0.15 -0.07 -4.87 113.70 118.26 3n0m s SER 37 Ca -0.07 -0.97 -0.14 0.00 0.70 0.00 0.00 55.95 55.47 3n0m s SER 37 Cb -0.02 -1.58 0.06 0.00 -1.71 0.00 0.00 66.02 62.78 3n0m s SER 37 CO -0.01 -0.11 1.82 0.25 1.20 0.00 0.00 173.24 176.39 3n0m h LEU 38 N 7.92 0.62 -1.14 3.45 5.85 -1.97 -2.72 115.31 127.32 3n0m h LEU 38 Ca -0.32 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.30 3n0m h LEU 38 Cb 1.10 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 3n0m h LEU 38 CO 0.56 0.48 -0.03 0.77 -0.34 0.00 0.00 178.44 179.88 3n0m h SER 39 N 0.71 0.54 -0.07 1.25 4.64 -1.96 -2.96 113.55 115.70 3n0m h SER 39 Ca 0.19 -0.11 0.02 0.00 -0.47 0.00 0.00 61.79 61.42 3n0m h SER 39 Cb -0.04 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 61.90 3n0m h SER 39 CO -0.04 0.63 0.08 0.77 -0.87 0.00 0.00 176.83 177.40 3n0m h SER 40 N 0.54 0.00 0.43 4.97 4.64 -1.85 -0.49 113.55 121.80 3n0m h SER 40 Ca 0.11 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.35 3n0m h SER 40 Cb 0.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3n0m h SER 40 CO 0.02 0.00 -0.37 0.40 -0.87 0.00 0.00 176.83 176.01 3n0m h ILE 41 N 0.00 1.18 0.00 0.95 2.04 -1.63 -2.74 117.51 117.32 3n0m h ILE 41 Ca 0.03 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.61 3n0m h ILE 41 Cb 0.20 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 3n0m h ILE 41 CO -0.00 0.36 0.00 0.61 0.00 0.00 0.00 178.15 179.12 3n0m n GLY 42 N -0.38 -3.66 3.73 5.37 0.00 -0.19 0.05 105.19 110.11 3n0m n GLY 42 Ca -0.02 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 3n0m n GLY 42 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3n0m s TRP 43 N -0.96 3.06 -0.08 1.61 -0.00 -1.25 -4.85 118.94 116.48 3n0m s TRP 43 Ca 0.00 0.81 0.04 0.00 -0.00 0.00 0.00 56.10 56.94 3n0m s TRP 43 Cb 0.00 -3.87 0.00 0.00 -0.00 0.00 0.00 33.47 29.61 3n0m s TRP 43 CO 0.00 -3.04 -0.20 0.42 -0.00 0.00 0.00 176.95 174.13 3n0m s ILE 44 N 0.71 1.69 -0.61 5.86 1.01 -1.26 -1.51 121.20 127.09 3n0m s ILE 44 Ca 0.65 -0.82 -0.27 0.00 0.00 0.00 0.00 60.65 60.21 3n0m s ILE 44 Cb -0.42 -1.47 0.00 0.00 0.01 0.00 0.00 42.46 40.58 3n0m s ILE 44 CO 0.36 0.48 1.55 -0.55 0.00 0.00 0.00 174.94 176.78 3n0m s SER 45 N 0.33 5.83 0.00 3.58 0.15 0.66 -2.64 113.70 121.61 3n0m s SER 45 Ca -0.14 0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.68 3n0m s SER 45 Cb -0.16 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 3n0m s SER 45 CO 0.06 -1.97 0.00 0.61 1.20 0.00 0.00 173.24 173.14 3n0m n GLY 46 N 5.45 0.87 7.00 9.45 0.00 -1.26 -4.59 105.19 122.10 3n0m n GLY 46 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3n0m n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n0m n GLY 47 N -1.13 2.57 0.36 -0.02 0.00 -1.08 -2.23 105.19 103.66 3n0m n GLY 47 Ca 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.11 3n0m n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n0m h ALA 48 N -0.12 1.67 -0.73 4.61 0.00 -1.93 -1.43 119.26 121.33 3n0m h ALA 48 Ca 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3n0m h ALA 48 Cb 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3n0m h ALA 48 CO 0.00 0.02 0.31 0.28 0.00 0.00 0.00 179.25 179.86 3n0m h VAL 49 N 0.82 1.25 -0.52 0.00 2.07 -1.82 -1.74 116.25 116.30 3n0m h VAL 49 Ca 0.52 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 3n0m h VAL 49 Cb 0.74 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3n0m h VAL 49 CO -0.30 0.31 0.22 0.00 0.02 0.00 0.00 177.57 177.82 3n0m h ALA 50 N 1.15 0.67 -0.66 1.67 0.00 -1.23 -0.74 119.26 120.12 3n0m h ALA 50 Ca 0.25 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3n0m h ALA 50 Cb 0.19 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3n0m h ALA 50 CO -0.02 0.27 0.11 0.28 0.00 0.00 0.00 179.25 179.89 3n0m h VAL 51 N 0.70 1.26 -0.32 0.00 2.07 -1.25 -1.46 116.25 117.25 3n0m h VAL 51 Ca 0.17 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 3n0m h VAL 51 Cb 0.17 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3n0m h VAL 51 CO -0.02 0.38 0.11 0.58 0.02 0.00 0.00 177.57 178.64 3n0m h VAL 52 N 1.01 1.20 -0.33 2.57 2.07 -0.82 -2.22 116.25 119.74 3n0m h VAL 52 Ca 0.20 -0.63 -0.09 0.00 0.82 0.00 0.00 66.70 67.01 3n0m h VAL 52 Cb 0.42 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3n0m h VAL 52 CO 0.01 0.21 -0.17 -0.33 0.02 0.00 0.00 177.57 177.32 3n0m h GLU 53 N 0.36 0.60 -0.15 1.57 4.39 -0.98 -2.83 114.58 117.55 3n0m h GLU 53 Ca 0.10 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 3n0m h GLU 53 Cb 0.23 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 3n0m h GLU 53 CO -0.01 0.74 0.09 0.00 -1.16 0.00 0.00 179.01 178.68 3n0m h ALA 54 N 1.28 0.19 0.00 3.43 0.00 -1.20 0.56 119.26 123.52 3n0m h ALA 54 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3n0m h ALA 54 Cb 0.60 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3n0m h ALA 54 CO 0.04 -0.30 0.00 1.28 0.00 0.00 0.00 179.25 180.27 3n0m n LEU 55 N -4.96 0.00 0.00 0.00 4.77 -0.84 -1.36 117.00 114.61 3n0m n LEU 55 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 3n0m n LEU 55 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3n0m n LEU 55 CO 0.34 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.61 3n0m n GLU 57 N 0.54 0.00 -0.06 3.23 4.07 0.20 -1.27 120.64 127.36 3n0m n GLU 57 Ca 0.00 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 56.93 3n0m n GLU 57 Cb 0.00 0.00 -0.13 0.00 -0.06 0.00 0.00 31.44 31.25 3n0m n GLU 57 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3n0m h VAL 58 N 0.00 1.57 -0.06 6.31 2.07 -1.46 -3.38 116.25 121.29 3n0m h VAL 58 Ca 0.00 -2.35 -0.24 0.00 0.82 0.00 0.00 66.70 64.93 3n0m h VAL 58 Cb 0.00 3.13 0.02 0.00 -1.52 0.00 0.00 31.29 32.92 3n0m h VAL 58 CO 0.00 0.58 -0.91 0.40 0.02 0.00 0.00 177.57 177.66 3n0m h ILE 59 N -0.87 1.29 -2.76 4.57 1.08 -1.40 -2.61 117.51 116.80 3n0m h ILE 59 Ca -0.10 -2.12 0.30 0.00 -0.39 0.00 0.00 64.86 62.55 3n0m h ILE 59 Cb 1.18 2.24 -0.13 0.00 -3.07 0.00 0.00 36.82 37.05 3n0m h ILE 59 CO -0.01 0.66 -0.80 0.35 -0.69 0.00 0.00 178.15 177.65 3n0m n THR 60 N -3.91 -0.18 0.30 -0.27 -2.24 -1.26 -1.34 114.28 105.38 3n0m n THR 60 Ca -0.10 0.48 0.18 0.00 -2.27 0.00 0.00 64.05 62.35 3n0m n THR 60 Cb 0.82 -0.88 0.97 0.00 -2.10 0.00 0.00 70.33 69.13 3n0m n THR 60 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3n0m h GLU 61 N -1.13 0.00 0.00 -0.78 5.08 -1.96 0.33 114.58 116.12 3n0m h GLU 61 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3n0m h GLU 61 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3n0m h GLU 61 CO 0.04 0.00 -0.35 0.39 -1.00 0.00 0.00 179.01 178.09 3n0m n GLU 62 N -2.83 0.16 -2.35 2.33 4.71 -1.26 -2.18 120.64 119.22 3n0m n GLU 62 Ca -0.02 0.08 -0.13 0.00 -0.01 0.00 0.00 57.16 57.07 3n0m n GLU 62 Cb 0.15 -1.63 0.04 0.00 -1.01 0.00 0.00 31.44 28.99 3n0m n GLU 62 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3n0m n GLY 63 N 1.40 2.08 2.89 0.62 0.00 0.12 -4.43 105.19 107.87 3n0m n GLY 63 Ca 0.05 -2.20 -0.15 0.00 0.00 0.00 0.00 46.02 43.71 3n0m n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n0m s THR 64 N -1.34 0.24 -0.10 2.61 2.01 -1.26 -0.91 115.64 116.89 3n0m s THR 64 Ca 0.36 -0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.32 3n0m s THR 64 Cb -0.03 -0.25 -0.01 0.00 0.01 0.00 0.00 72.50 72.22 3n0m s THR 64 CO 0.23 0.10 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.43 3n0m s ILE 65 N 0.32 2.41 0.32 1.82 1.01 0.37 -0.89 121.20 126.56 3n0m s ILE 65 Ca -0.03 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.73 3n0m s ILE 65 Cb -0.06 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 3n0m s ILE 65 CO -0.01 0.55 0.05 -0.38 0.00 0.00 0.00 174.94 175.16 3n0m n ILE 66 N 3.38 0.00 -4.02 2.92 -0.00 0.18 -0.34 119.36 121.48 3n0m n ILE 66 Ca -0.18 -1.67 -0.35 0.00 -0.00 0.00 0.00 62.75 60.55 3n0m n ILE 66 Cb 0.53 0.47 -0.07 0.00 -0.00 0.00 0.00 39.64 40.57 3n0m n ILE 66 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 3n0m s PRO 68 N -3.18 3.27 -0.45 0.38 0.04 -1.26 -1.23 135.00 132.56 3n0m s PRO 68 Ca 0.07 -0.31 0.09 0.00 0.04 0.00 0.00 61.00 60.90 3n0m s PRO 68 Cb 0.00 -3.02 0.33 0.00 0.04 0.00 0.00 34.50 31.86 3n0m s PRO 68 CO 0.05 0.71 0.78 0.25 0.04 0.00 0.00 177.00 178.83 3n0m n THR 69 N 1.58 0.91 -2.90 1.26 -2.24 0.06 -4.74 114.28 108.20 3n0m n THR 69 Ca -0.16 -4.88 -0.36 0.00 -2.27 0.00 0.00 64.05 56.38 3n0m n THR 69 Cb 0.54 -0.85 -0.06 0.00 -2.10 0.00 0.00 70.33 67.85 3n0m n THR 69 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3n0m s GLN 70 N -2.64 4.45 -0.45 -0.78 -0.21 -1.25 -4.07 119.66 114.70 3n0m s GLN 70 Ca 0.42 1.15 0.08 0.00 0.02 0.00 0.00 55.36 57.03 3n0m s GLN 70 Cb 0.30 -2.79 0.26 0.00 1.00 0.00 0.00 33.01 31.78 3n0m s GLN 70 CO -0.10 0.30 0.59 -1.13 -2.12 0.00 0.00 175.29 172.84 3n0m n SER 71 N 0.54 1.11 0.08 5.90 3.41 -0.68 -1.17 113.62 122.81 3n0m n SER 71 Ca 0.01 -2.90 0.12 0.00 -0.26 0.00 0.00 58.87 55.83 3n0m n SER 71 Cb 0.51 -0.64 0.46 0.00 -0.26 0.00 0.00 64.21 64.27 3n0m n SER 71 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3n0m n SER 72 N 1.17 0.51 -0.27 4.04 3.41 -1.26 -2.48 113.62 118.74 3n0m n SER 72 Ca 0.23 0.58 0.33 0.00 -0.26 0.00 0.00 58.87 59.76 3n0m n SER 72 Cb 0.51 -0.71 0.72 0.00 -0.26 0.00 0.00 64.21 64.47 3n0m n SER 72 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3n0m h ASP 73 N 0.00 0.00 -0.24 4.04 3.32 -1.94 -1.71 116.42 119.89 3n0m h ASP 73 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3n0m h ASP 73 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3n0m h ASP 73 CO 0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 3n0m n LEU 74 N -3.96 1.73 -4.94 1.55 4.32 -1.03 -4.98 117.00 109.68 3n0m n LEU 74 Ca 0.24 -0.78 -0.24 0.00 -0.02 0.00 0.00 56.01 55.21 3n0m n LEU 74 Cb 1.24 -0.15 -0.01 0.00 -1.62 0.00 0.00 43.42 42.88 3n0m n LEU 74 CO 0.37 0.39 0.22 -0.94 -1.22 0.00 0.00 177.39 176.20 3n0m s SER 75 N -1.35 6.19 0.13 -1.43 1.04 -0.65 -4.24 113.70 113.40 3n0m s SER 75 Ca 0.29 0.45 -0.33 0.00 0.48 0.00 0.00 55.95 56.84 3n0m s SER 75 Cb 0.15 -1.94 -0.13 0.00 0.10 0.00 0.00 66.02 64.21 3n0m s SER 75 CO 0.22 -0.41 1.70 -0.67 0.98 0.00 0.00 173.24 175.06 3n0m n ASP 76 N -1.89 3.52 0.00 7.02 -0.08 -1.18 -4.85 116.55 119.10 3n0m n ASP 76 Ca -0.03 1.05 0.13 0.00 -1.51 0.00 0.00 54.79 54.42 3n0m n ASP 76 Cb 0.56 -1.48 0.62 0.00 2.34 0.00 0.00 41.12 43.17 3n0m n ASP 76 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3n0m n PRO 77 N 4.35 0.24 -0.17 -0.67 -0.04 -1.26 -3.40 135.00 134.05 3n0m n PRO 77 Ca 0.18 0.04 -0.04 0.00 -0.04 0.00 0.00 63.50 63.64 3n0m n PRO 77 Cb 0.32 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.30 3n0m n PRO 77 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 3n0m h LYS 78 N 0.00 -0.11 -0.50 0.54 -0.00 -1.95 -0.94 116.57 113.62 3n0m h LYS 78 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.66 3n0m h LYS 78 Cb 0.32 0.02 0.00 0.00 -0.00 0.00 0.00 32.23 32.57 3n0m h LYS 78 CO 0.00 -0.07 0.00 0.72 -0.00 0.00 0.00 179.45 180.10 3n0m n HIS 79 N -5.42 0.37 -2.62 0.07 8.25 -1.22 -4.90 115.22 109.75 3n0m n HIS 79 Ca 0.04 -0.15 -0.42 0.00 -0.26 0.00 0.00 57.72 56.94 3n0m n HIS 79 Cb 0.33 -0.09 -0.03 0.00 1.12 0.00 0.00 29.99 31.32 3n0m n HIS 79 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3n0m s TRP 80 N -1.62 3.60 0.07 4.41 0.51 -0.36 -4.89 118.94 120.67 3n0m s TRP 80 Ca 0.13 1.58 0.00 0.00 -2.12 0.00 0.00 56.10 55.69 3n0m s TRP 80 Cb 0.08 -3.21 0.00 0.00 -0.81 0.00 0.00 33.47 29.53 3n0m s TRP 80 CO 0.06 -0.39 0.00 -1.13 -0.51 0.00 0.00 176.95 174.98 3n0m n SER 81 N 3.79 0.78 0.00 2.95 3.41 -1.26 -4.46 113.62 118.83 3n0m n SER 81 Ca 0.07 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 3n0m n SER 81 Cb 0.49 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 3n0m n SER 81 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3n0m n ARG 82 N -3.21 0.00 -4.18 4.33 3.00 -1.26 -2.71 116.66 112.63 3n0m n ARG 82 Ca 0.00 0.87 -0.35 0.00 -0.01 0.00 0.00 57.85 58.36 3n0m n ARG 82 Cb 0.00 -1.34 -0.08 0.00 0.00 0.00 0.00 32.46 31.04 3n0m n ARG 82 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 3n0m s PRO 83 N -2.72 3.10 0.58 5.56 0.02 -1.26 -5.15 135.00 135.13 3n0m s PRO 83 Ca 0.00 -0.37 0.08 0.00 0.02 0.00 0.00 61.00 60.72 3n0m s PRO 83 Cb 0.00 -2.90 0.08 0.00 0.02 0.00 0.00 34.50 31.70 3n0m s PRO 83 CO 0.00 0.70 0.63 -1.25 -0.33 0.00 0.00 177.00 176.75 3n0m s PRO 84 N -1.19 2.23 -0.10 5.54 0.04 -1.10 -4.86 135.00 135.56 3n0m s PRO 84 Ca 0.17 -1.89 -0.23 0.00 0.04 0.00 0.00 61.00 59.09 3n0m s PRO 84 Cb -0.12 -2.36 0.05 0.00 0.04 0.00 0.00 34.50 32.11 3n0m s PRO 84 CO 0.06 -0.83 0.55 0.14 0.04 0.00 0.00 177.00 176.97 3n0m s VAL 85 N -2.76 0.01 0.19 -0.36 -7.23 -1.26 -5.03 120.40 103.95 3n0m s VAL 85 Ca 0.48 -0.11 -0.33 0.00 -1.81 0.00 0.00 61.98 60.21 3n0m s VAL 85 Cb -0.04 -0.84 -0.15 0.00 0.56 0.00 0.00 36.38 35.92 3n0m s VAL 85 CO 0.30 -0.06 1.37 -2.65 -0.31 0.00 0.00 175.10 173.75 3n0m n PRO 86 N 1.69 1.71 0.13 4.82 -0.02 -1.26 -4.88 135.00 137.18 3n0m n PRO 86 Ca -0.18 0.61 0.19 0.00 -2.02 0.00 0.00 63.50 62.11 3n0m n PRO 86 Cb 0.56 -2.25 0.77 0.00 -0.02 0.00 0.00 33.50 32.57 3n0m n PRO 86 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3n0m h GLU 87 N 4.38 0.00 -0.56 -0.52 5.08 -2.01 0.10 114.58 121.05 3n0m h GLU 87 Ca -0.45 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 57.95 3n0m h GLU 87 Cb 1.30 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 3n0m h GLU 87 CO 0.77 0.00 0.37 0.93 -1.00 0.00 0.00 179.01 180.08 3n0m h GLU 88 N 0.00 0.61 -0.36 2.33 4.39 -2.05 -2.64 114.58 116.87 3n0m h GLU 88 Ca 0.16 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.70 3n0m h GLU 88 Cb 0.83 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 3n0m h GLU 88 CO -0.00 0.40 -0.26 -1.49 -1.16 0.00 0.00 179.01 176.50 3n0m h TRP 89 N 0.63 0.84 -0.38 4.33 4.06 -1.13 -3.36 115.95 120.93 3n0m h TRP 89 Ca 0.23 -0.20 0.08 0.00 2.06 0.00 0.00 58.89 61.06 3n0m h TRP 89 Cb 0.12 -0.20 -0.09 0.00 -1.00 0.00 0.00 29.16 28.00 3n0m h TRP 89 CO -0.00 0.92 -0.31 -1.49 -3.56 0.00 0.00 178.44 173.99 3n0m h TRP 90 N 0.63 -0.87 -0.13 0.49 4.06 -1.52 0.17 115.95 118.78 3n0m h TRP 90 Ca 0.08 0.06 -0.09 0.00 2.06 0.00 0.00 58.89 60.99 3n0m h TRP 90 Cb 0.77 0.44 -0.01 0.00 -1.00 0.00 0.00 29.16 29.36 3n0m h TRP 90 CO 0.04 -0.37 -0.33 0.37 -3.56 0.00 0.00 178.44 174.59 3n0m h GLN 91 N -0.25 0.26 -0.10 0.49 5.75 -1.74 -1.57 115.11 117.95 3n0m h GLN 91 Ca 0.17 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 3n0m h GLN 91 Cb 0.53 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.06 3n0m h GLN 91 CO -0.52 0.57 0.02 0.82 -2.65 0.00 0.00 178.83 177.07 3n0m h ILE 92 N 0.23 1.20 -0.39 2.39 2.04 -1.15 -2.29 117.51 119.55 3n0m h ILE 92 Ca 0.03 -0.62 0.07 0.00 1.00 0.00 0.00 64.86 65.34 3n0m h ILE 92 Cb 0.70 1.42 -0.07 0.00 -0.74 0.00 0.00 36.82 38.13 3n0m h ILE 92 CO 0.05 0.18 -0.03 0.40 0.00 0.00 0.00 178.15 178.75 3n0m h ILE 93 N -0.04 0.68 -0.94 -0.67 2.04 -0.35 -0.53 117.51 117.69 3n0m h ILE 93 Ca 0.03 -0.02 0.06 0.00 1.00 0.00 0.00 64.86 65.93 3n0m h ILE 93 Cb 0.26 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 3n0m h ILE 93 CO 0.00 0.01 0.61 0.03 0.00 0.00 0.00 178.15 178.80 3n0m h ARG 94 N 0.07 1.06 0.00 2.37 3.08 -1.27 0.59 114.38 120.28 3n0m h ARG 94 Ca 0.19 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3n0m h ARG 94 Cb 0.28 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3n0m h ARG 94 CO -0.34 0.70 -0.18 -0.25 -1.07 0.00 0.00 179.97 178.83 3n0m n ASP 95 N -4.49 0.35 0.00 7.04 8.00 -0.80 -4.46 116.55 122.19 3n0m n ASP 95 Ca 0.14 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.95 3n0m n ASP 95 Cb 0.18 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 3n0m n ASP 95 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3n0m n ASN 96 N -1.72 2.59 -4.72 -2.24 3.02 -0.27 -5.06 115.26 106.86 3n0m n ASN 96 Ca 0.06 -0.04 -0.42 0.00 -0.03 0.00 0.00 54.58 54.15 3n0m n ASN 96 Cb 0.37 0.59 -0.03 0.00 -0.61 0.00 0.00 39.78 40.10 3n0m n ASN 96 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3n0m s VAL 97 N -1.11 2.70 0.26 2.41 0.11 0.15 -4.91 120.40 120.01 3n0m s VAL 97 Ca 0.00 0.51 -0.30 0.00 -2.93 0.00 0.00 61.98 59.26 3n0m s VAL 97 Cb 0.00 -3.33 -0.10 0.00 -1.53 0.00 0.00 36.38 31.42 3n0m s VAL 97 CO 0.00 0.05 1.47 -2.84 -3.33 0.00 0.00 175.10 170.44 3n0m s PRO 98 N 0.94 4.24 0.64 1.54 0.02 -1.26 -4.88 135.00 136.24 3n0m s PRO 98 Ca 0.68 2.35 -0.18 0.00 0.02 0.00 0.00 61.00 63.88 3n0m s PRO 98 Cb -0.43 -3.09 -0.03 0.00 0.02 0.00 0.00 34.50 30.97 3n0m s PRO 98 CO 0.33 -0.46 1.00 0.00 -0.33 0.00 0.00 177.00 177.54 3n0m n ALA 99 N 2.29 0.20 -1.99 -1.55 0.00 -1.26 -4.88 120.51 113.31 3n0m n ALA 99 Ca 0.07 -0.05 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 3n0m n ALA 99 Cb 0.40 -2.14 -0.03 0.00 0.00 0.00 0.00 19.45 17.68 3n0m n ALA 99 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3n0m s PHE 100 N -1.57 3.11 -0.17 0.00 5.36 -0.27 -4.93 117.98 119.50 3n0m s PHE 100 Ca 0.77 0.72 -0.05 0.00 -0.96 0.00 0.00 56.93 57.41 3n0m s PHE 100 Cb -0.39 -3.86 0.07 0.00 -0.34 0.00 0.00 43.02 38.49 3n0m s PHE 100 CO 0.46 -3.14 0.12 -1.21 -1.46 0.00 0.00 175.22 169.99 3n0m s GLU 101 N 1.10 0.09 0.16 10.12 2.02 -1.26 -4.42 118.70 126.51 3n0m s GLU 101 Ca 0.68 -0.01 -0.14 0.00 0.02 0.00 0.00 54.97 55.53 3n0m s GLU 101 Cb -0.42 -1.66 0.15 0.00 0.10 0.00 0.00 34.13 32.30 3n0m s GLU 101 CO 0.31 -0.66 1.13 -2.30 0.02 0.00 0.00 175.26 173.77 3n0m n PRO 102 N 5.29 -0.19 0.26 0.39 -0.02 -1.26 0.58 135.00 140.04 3n0m n PRO 102 Ca -0.07 1.12 0.15 0.00 -2.02 0.00 0.00 63.50 62.69 3n0m n PRO 102 Cb 0.49 -1.67 0.51 0.00 -0.02 0.00 0.00 33.50 32.81 3n0m n PRO 102 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3n0m h HIS 103 N 0.00 0.00 0.00 6.00 3.86 -1.97 -3.36 115.15 119.68 3n0m h HIS 103 Ca 0.24 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 59.09 3n0m h HIS 103 Cb 0.42 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.83 3n0m h HIS 103 CO -0.66 0.02 -2.24 -0.89 0.86 0.00 0.00 177.93 175.02 3n0m n ILE 104 N -3.11 1.22 -2.04 2.45 5.41 0.20 -4.99 119.36 118.50 3n0m n ILE 104 Ca 0.02 -0.36 -0.42 0.00 1.00 0.00 0.00 62.75 62.99 3n0m n ILE 104 Cb 0.39 -1.64 -0.03 0.00 -0.71 0.00 0.00 39.64 37.64 3n0m n ILE 104 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3n0m s THR 105 N -2.41 3.48 0.63 1.39 2.01 0.46 -4.96 115.64 116.23 3n0m s THR 105 Ca -0.30 0.74 -0.15 0.00 0.31 0.00 0.00 61.69 62.28 3n0m s THR 105 Cb 0.11 -3.48 -0.02 0.00 0.01 0.00 0.00 72.50 69.12 3n0m s THR 105 CO 0.42 -0.04 1.08 -2.84 -0.69 0.00 0.00 174.62 172.56 3n0m s PRO 106 N 3.33 3.06 0.52 4.92 0.02 -1.26 -4.95 135.00 140.64 3n0m s PRO 106 Ca 0.71 1.30 -0.07 0.00 0.02 0.00 0.00 61.00 62.96 3n0m s PRO 106 Cb -0.34 -1.99 -0.03 0.00 0.02 0.00 0.00 34.50 32.15 3n0m s PRO 106 CO 0.29 -1.03 0.85 0.95 -0.33 0.00 0.00 177.00 177.73 3n0m s THR 107 N -2.40 4.79 -0.07 0.99 -4.23 -1.26 -4.69 115.64 108.78 3n0m s THR 107 Ca 0.65 0.35 0.02 0.00 -1.18 0.00 0.00 61.69 61.54 3n0m s THR 107 Cb -0.18 -3.84 0.01 0.00 1.34 0.00 0.00 72.50 69.83 3n0m s THR 107 CO 0.39 -0.90 -0.13 -0.60 -0.54 0.00 0.00 174.62 172.85 3n0m s ARG 108 N -4.86 1.73 -0.23 3.99 3.52 -0.32 -4.97 118.95 117.81 3n0m s ARG 108 Ca 0.50 -0.43 -0.01 0.00 -0.13 0.00 0.00 55.73 55.66 3n0m s ARG 108 Cb -0.10 -1.43 -0.01 0.00 -1.56 0.00 0.00 34.95 31.85 3n0m s ARG 108 CO 0.47 0.04 0.20 0.00 -0.81 0.00 0.00 175.30 175.20 3n0m n ALA 109 N 3.79 -1.13 -3.45 6.12 0.00 -1.26 -4.72 120.51 119.86 3n0m n ALA 109 Ca -0.23 0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.11 3n0m n ALA 109 Cb 0.52 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 3n0m n ALA 109 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3n0m s GLY 111 N -2.90 -0.59 0.34 0.00 0.00 -1.26 -5.07 107.32 97.84 3n0m s GLY 111 Ca 0.08 0.71 0.07 0.00 0.00 0.00 0.00 44.72 45.59 3n0m s GLY 111 CO 0.17 0.33 1.87 0.50 0.00 0.00 0.00 173.10 175.97 3n0m h LYS 112 N 2.18 0.73 -0.61 2.90 6.56 -1.98 -0.42 116.57 125.93 3n0m h LYS 112 Ca -0.31 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.22 3n0m h LYS 112 Cb 1.27 -0.16 -0.03 0.00 -0.57 0.00 0.00 32.23 32.74 3n0m h LYS 112 CO 0.37 0.48 0.33 0.28 -2.06 0.00 0.00 179.45 178.86 3n0m h VAL 113 N 0.75 1.18 -0.06 0.50 2.07 -1.93 0.12 116.25 118.88 3n0m h VAL 113 Ca 0.44 -0.46 -0.24 0.00 0.82 0.00 0.00 66.70 67.26 3n0m h VAL 113 Cb 0.63 0.36 0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3n0m h VAL 113 CO -0.20 0.20 -0.90 0.58 0.02 0.00 0.00 177.57 177.27 3n0m h VAL 114 N 0.85 1.29 -0.93 2.57 2.07 -1.51 -1.59 116.25 119.00 3n0m h VAL 114 Ca 0.22 -2.11 0.04 0.00 0.82 0.00 0.00 66.70 65.66 3n0m h VAL 114 Cb 0.02 2.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.96 3n0m h VAL 114 CO -0.04 0.66 0.61 -0.33 0.02 0.00 0.00 177.57 178.49 3n0m h GLU 115 N 0.42 1.13 0.13 1.57 4.39 -0.85 -0.16 114.58 121.22 3n0m h GLU 115 Ca -0.09 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 3n0m h GLU 115 Cb 1.55 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 3n0m h GLU 115 CO 0.18 0.75 -0.06 0.00 -1.16 0.00 0.00 179.01 178.72 3n0m h PHE 117 N -0.79 0.26 0.00 0.00 3.57 -1.02 -2.36 116.94 116.62 3n0m h PHE 117 Ca -0.02 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3n0m h PHE 117 Cb 0.55 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.29 3n0m h PHE 117 CO 0.09 -0.11 0.00 0.07 -2.23 0.00 0.00 178.31 176.13 3n0m h ARG 118 N 0.25 0.00 -0.01 1.11 0.11 -1.04 -2.25 114.38 112.56 3n0m h ARG 118 Ca 0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.52 3n0m h ARG 118 Cb 0.77 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.85 3n0m h ARG 118 CO -0.54 0.00 -0.48 0.25 0.10 0.00 0.00 179.97 179.30 3n0m n THR 119 N -2.60 0.00 -1.77 0.08 -2.24 -0.89 -4.90 114.28 101.95 3n0m n THR 119 Ca 0.01 -0.10 -0.38 0.00 -2.27 0.00 0.00 64.05 61.30 3n0m n THR 119 Cb 0.23 0.63 0.04 0.00 -2.10 0.00 0.00 70.33 69.13 3n0m n THR 119 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3n0m s TYR 120 N -2.70 2.26 0.60 4.78 2.02 -0.85 -4.97 117.35 118.49 3n0m s TYR 120 Ca 0.17 1.38 -0.18 0.00 -0.37 0.00 0.00 57.07 58.07 3n0m s TYR 120 Cb 0.18 -3.80 -0.03 0.00 -0.40 0.00 0.00 41.96 37.91 3n0m s TYR 120 CO 0.63 -2.93 1.15 -1.25 -1.57 0.00 0.00 175.55 171.58 3n0m s PRO 121 N -2.95 3.02 0.00 -1.71 0.04 -1.26 -2.63 135.00 129.52 3n0m s PRO 121 Ca 0.72 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.39 3n0m s PRO 121 Cb -0.40 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.18 3n0m s PRO 121 CO 0.47 -1.12 0.00 0.09 0.04 0.00 0.00 177.00 176.48 3n0m n ASN 122 N -1.77 0.00 -4.70 6.66 3.02 -1.26 -4.97 115.26 112.24 3n0m n ASN 122 Ca 0.12 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.27 3n0m n ASN 122 Cb 0.51 -1.03 -0.05 0.00 -0.61 0.00 0.00 39.78 38.60 3n0m n ASN 122 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3n0m s VAL 123 N -2.45 5.04 0.05 2.41 1.01 -1.08 -4.65 120.40 120.74 3n0m s VAL 123 Ca 0.00 1.32 0.06 0.00 0.00 0.00 0.00 61.98 63.37 3n0m s VAL 123 Cb 0.00 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 3n0m s VAL 123 CO 0.00 0.20 -0.14 0.68 0.00 0.00 0.00 175.10 175.84 3n0m s VAL 124 N 1.22 3.11 -0.02 2.92 -7.23 -0.37 -4.89 120.40 115.14 3n0m s VAL 124 Ca 0.34 -1.14 0.05 0.00 -1.81 0.00 0.00 61.98 59.42 3n0m s VAL 124 Cb -0.17 -2.36 -0.03 0.00 0.56 0.00 0.00 36.38 34.38 3n0m s VAL 124 CO 0.14 0.28 -0.18 -0.60 -0.31 0.00 0.00 175.10 174.44 3n0m s ARG 125 N -1.65 2.30 0.84 4.82 3.52 -1.26 -0.78 118.95 126.74 3n0m s ARG 125 Ca 0.17 -0.82 -0.12 0.00 -0.13 0.00 0.00 55.73 54.83 3n0m s ARG 125 Cb -0.11 -2.26 0.10 0.00 -1.56 0.00 0.00 34.95 31.12 3n0m s ARG 125 CO 0.08 0.59 1.11 -1.54 -0.81 0.00 0.00 175.30 174.72 3n0m s SER 126 N -0.91 4.09 -0.03 -2.12 1.04 0.79 -4.95 113.70 111.60 3n0m s SER 126 Ca 0.12 1.24 0.06 0.00 0.48 0.00 0.00 55.95 57.85 3n0m s SER 126 Cb -0.10 -1.93 0.22 0.00 0.10 0.00 0.00 66.02 64.30 3n0m s SER 126 CO 0.02 -2.22 1.05 -3.20 0.98 0.00 0.00 173.24 169.87 3n0m n ASN 127 N -3.59 1.69 -4.72 7.02 5.15 -1.26 -4.64 115.26 114.92 3n0m n ASN 127 Ca 0.07 -2.11 -0.39 0.00 -0.60 0.00 0.00 54.58 51.55 3n0m n ASN 127 Cb 0.57 -0.31 -0.06 0.00 -0.53 0.00 0.00 39.78 39.45 3n0m n ASN 127 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3n0m s HIS 128 N -1.64 3.52 0.40 1.20 2.46 -1.26 -4.96 115.29 115.01 3n0m s HIS 128 Ca 0.16 1.00 0.30 0.00 0.47 0.00 0.00 55.06 56.98 3n0m s HIS 128 Cb 0.10 -2.64 1.54 0.00 -0.13 0.00 0.00 32.58 31.45 3n0m s HIS 128 CO 0.08 0.12 2.09 -1.00 -2.47 0.00 0.00 174.74 173.56 3n0m h PRO 129 N 6.78 0.00 0.00 2.88 0.13 -1.91 -3.01 132.00 136.88 3n0m h PRO 129 Ca -0.40 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.65 3n0m h PRO 129 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3n0m h PRO 129 CO 0.76 0.09 -1.29 1.28 -0.23 0.00 0.00 178.00 178.61 3n0m n LEU 130 N -3.50 1.69 -2.09 1.56 4.77 -1.26 -4.52 117.00 113.66 3n0m n LEU 130 Ca -0.02 -0.02 -0.16 0.00 -0.03 0.00 0.00 56.01 55.79 3n0m n LEU 130 Cb 0.23 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.30 3n0m n LEU 130 CO 0.29 0.38 0.15 0.61 -1.33 0.00 0.00 177.39 177.48 3n0m n GLY 131 N 3.03 5.15 3.68 -0.72 0.00 -1.25 -1.69 105.19 113.39 3n0m n GLY 131 Ca -0.08 -2.17 -0.30 0.00 0.00 0.00 0.00 46.02 43.47 3n0m n GLY 131 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3n0m s SER 132 N -3.58 3.12 0.10 1.61 1.04 -1.14 -4.83 113.70 110.01 3n0m s SER 132 Ca 0.44 1.60 0.04 0.00 0.48 0.00 0.00 55.95 58.52 3n0m s SER 132 Cb 0.39 -2.26 -0.03 0.00 0.10 0.00 0.00 66.02 64.21 3n0m s SER 132 CO 0.01 -2.88 -0.11 -0.36 0.98 0.00 0.00 173.24 170.88 3n0m s PHE 133 N -2.83 1.11 0.09 5.02 0.08 -1.26 -0.76 117.98 119.43 3n0m s PHE 133 Ca 0.64 -0.61 0.09 0.00 0.12 0.00 0.00 56.93 57.17 3n0m s PHE 133 Cb -0.19 -0.60 -0.04 0.00 -0.57 0.00 0.00 43.02 41.61 3n0m s PHE 133 CO 0.58 0.02 -0.21 0.00 -0.10 0.00 0.00 175.22 175.51 3n0m s ALA 134 N -2.24 2.55 0.03 5.36 0.00 -1.26 -0.15 121.76 126.05 3n0m s ALA 134 Ca 0.05 -1.33 -0.06 0.00 0.00 0.00 0.00 51.96 50.61 3n0m s ALA 134 Cb -0.04 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 3n0m s ALA 134 CO 0.01 0.57 0.11 0.00 0.00 0.00 0.00 175.76 176.44 3n0m s ALA 135 N -1.04 -0.14 -0.03 0.00 0.00 0.04 -4.30 121.76 116.29 3n0m s ALA 135 Ca 0.16 -0.43 -0.02 0.00 0.00 0.00 0.00 51.96 51.66 3n0m s ALA 135 Cb -0.10 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.24 3n0m s ALA 135 CO 0.07 -0.29 0.07 -0.46 0.00 0.00 0.00 175.76 175.15 3n0m s TRP 136 N -2.24 -0.07 0.00 0.00 -0.00 0.53 -1.23 118.94 115.93 3n0m s TRP 136 Ca -0.08 0.20 0.00 0.00 -0.00 0.00 0.00 56.10 56.22 3n0m s TRP 136 Cb -0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 33.47 33.43 3n0m s TRP 136 CO -0.03 -0.05 0.00 0.41 -0.00 0.00 0.00 176.95 177.28 3n0m n GLY 137 N 3.22 -0.02 0.18 5.86 0.00 -1.26 -0.48 105.19 112.69 3n0m n GLY 137 Ca -0.14 -1.90 -0.04 0.00 0.00 0.00 0.00 46.02 43.93 3n0m n GLY 137 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3n0m h ARG 138 N 0.00 0.26 -0.40 1.61 2.43 -0.52 -2.06 114.38 115.70 3n0m h ARG 138 Ca 0.00 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 3n0m h ARG 138 Cb 0.00 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.44 3n0m h ARG 138 CO 0.00 0.17 0.05 0.72 -1.51 0.00 0.00 179.97 179.40 3n0m n HIS 139 N -5.05 1.36 -0.19 2.20 8.25 -1.26 -4.68 115.22 115.84 3n0m n HIS 139 Ca 0.03 -1.09 -0.07 0.00 -0.26 0.00 0.00 57.72 56.34 3n0m n HIS 139 Cb 0.18 -0.44 -0.01 0.00 1.12 0.00 0.00 29.99 30.83 3n0m n HIS 139 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3n0m h ALA 140 N 1.93 -0.18 0.38 -1.41 0.00 -1.64 -0.14 119.26 118.20 3n0m h ALA 140 Ca 0.10 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3n0m h ALA 140 Cb 1.71 0.85 0.00 0.00 0.00 0.00 0.00 17.79 20.36 3n0m h ALA 140 CO 0.38 -0.75 -0.18 1.49 0.00 0.00 0.00 179.25 180.20 3n0m h GLU 141 N -0.20 -0.49 -0.96 0.00 4.57 -1.83 -2.37 114.58 113.30 3n0m h GLU 141 Ca 0.20 0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.48 3n0m h GLU 141 Cb 0.56 0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 29.20 3n0m h GLU 141 CO -0.67 -0.27 0.62 1.49 -1.18 0.00 0.00 179.01 179.01 3n0m h GLU 142 N -0.60 1.10 -0.17 1.92 4.81 -1.83 -2.13 114.58 117.68 3n0m h GLU 142 Ca -0.05 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 58.95 3n0m h GLU 142 Cb 0.44 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3n0m h GLU 142 CO 0.08 0.73 -0.58 0.82 -0.73 0.00 0.00 179.01 179.34 3n0m h ILE 143 N 1.13 1.33 -0.00 2.32 2.04 -0.85 -3.30 117.51 120.17 3n0m h ILE 143 Ca 0.40 -1.84 0.00 0.00 1.00 0.00 0.00 64.86 64.42 3n0m h ILE 143 Cb 0.14 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 3n0m h ILE 143 CO -0.15 0.57 -0.78 0.35 0.00 0.00 0.00 178.15 178.14 3n0m n THR 144 N -3.94 0.00 -3.32 -0.27 -2.24 -0.91 -4.11 114.28 99.48 3n0m n THR 144 Ca -0.03 -0.05 -0.37 0.00 -2.27 0.00 0.00 64.05 61.33 3n0m n THR 144 Cb 0.62 0.86 -0.06 0.00 -2.10 0.00 0.00 70.33 69.65 3n0m n THR 144 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3n0m s VAL 145 N -2.90 4.81 -0.78 2.28 0.11 -0.83 -4.26 120.40 118.82 3n0m s VAL 145 Ca 0.11 1.01 -0.03 0.00 -2.93 0.00 0.00 61.98 60.14 3n0m s VAL 145 Cb 0.17 -3.80 0.00 0.00 -1.53 0.00 0.00 36.38 31.22 3n0m s VAL 145 CO 0.77 0.39 0.67 0.59 -3.33 0.00 0.00 175.10 174.20 3n0m n ASN 146 N 1.25 -3.43 -4.72 3.54 3.02 -1.26 -4.99 115.26 108.68 3n0m n ASN 146 Ca -0.08 -0.35 -0.42 0.00 -0.03 0.00 0.00 54.58 53.70 3n0m n ASN 146 Cb 0.51 -3.30 -0.03 0.00 -0.61 0.00 0.00 39.78 36.35 3n0m n ASN 146 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3n0m s GLN 147 N -5.34 4.47 0.48 3.52 0.74 -1.26 -4.88 119.66 117.40 3n0m s GLN 147 Ca 0.19 1.71 -0.20 0.00 0.05 0.00 0.00 55.36 57.10 3n0m s GLN 147 Cb -0.08 -3.36 -0.09 0.00 1.10 0.00 0.00 33.01 30.59 3n0m s GLN 147 CO 0.45 -0.18 1.03 -1.54 -0.55 0.00 0.00 175.29 174.50 3n0m s SER 148 N 0.89 6.37 0.01 6.67 1.04 -1.23 -4.85 113.70 122.60 3n0m s SER 148 Ca 0.56 1.91 -0.22 0.00 0.48 0.00 0.00 55.95 58.69 3n0m s SER 148 Cb -0.28 -2.56 -0.12 0.00 0.10 0.00 0.00 66.02 63.16 3n0m s SER 148 CO 0.30 -0.76 1.00 0.25 0.98 0.00 0.00 173.24 175.01 3n0m h LEU 149 N 1.56 -0.67 -7.86 2.42 5.85 -1.96 -3.39 115.31 111.25 3n0m h LEU 149 Ca -0.49 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.10 3n0m h LEU 149 Cb 1.22 0.17 0.02 0.00 0.37 0.00 0.00 40.66 42.44 3n0m h LEU 149 CO 0.59 -0.34 0.43 -1.20 -0.34 0.00 0.00 178.44 177.58 3n0m n SER 150 N -4.89 1.58 0.00 1.25 7.64 -1.26 -4.92 113.62 113.02 3n0m n SER 150 Ca -0.10 -2.53 0.00 0.00 1.01 0.00 0.00 58.87 57.25 3n0m n SER 150 Cb 0.31 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 61.96 3n0m n SER 150 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3n0m n SER 152 N 17.31 2.54 -1.70 6.43 3.41 -1.26 -4.91 113.62 135.44 3n0m n SER 152 Ca 0.43 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 59.07 3n0m n SER 152 Cb 0.46 0.01 0.34 0.00 -0.26 0.00 0.00 64.21 64.77 3n0m n SER 152 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3n0m n LEU 153 N -2.10 5.44 0.00 1.04 4.77 -1.26 -4.57 117.00 120.32 3n0m n LEU 153 Ca 0.00 -3.07 0.00 0.00 -0.03 0.00 0.00 56.01 52.91 3n0m n LEU 153 Cb 0.31 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 3n0m n LEU 153 CO 0.00 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 3n0m n GLY 154 N 0.11 1.07 0.28 -0.72 0.00 -1.26 -3.93 105.19 100.75 3n0m n GLY 154 Ca 0.31 -1.83 0.18 0.00 0.00 0.00 0.00 46.02 44.68 3n0m n GLY 154 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3n0m h GLU 155 N 0.00 0.00 -0.77 1.61 4.39 -1.96 0.48 114.58 118.33 3n0m h GLU 155 Ca 0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 3n0m h GLU 155 Cb 0.00 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 3n0m h GLU 155 CO 0.00 0.00 0.08 0.39 -1.16 0.00 0.00 179.01 178.33 3n0m n GLU 156 N -3.10 3.31 -3.92 2.33 -0.58 -1.26 -4.80 120.64 112.61 3n0m n GLU 156 Ca 0.00 -2.11 -0.23 0.00 -0.42 0.00 0.00 57.16 54.40 3n0m n GLU 156 Cb 0.29 -1.98 -0.05 0.00 -0.57 0.00 0.00 31.44 29.12 3n0m n GLU 156 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3n0m s SER 157 N -0.53 4.65 0.60 1.62 1.04 0.16 -3.53 113.70 117.72 3n0m s SER 157 Ca 0.37 -0.98 0.32 0.00 0.48 0.00 0.00 55.95 56.14 3n0m s SER 157 Cb 0.29 -0.45 1.90 0.00 0.10 0.00 0.00 66.02 67.85 3n0m s SER 157 CO 0.10 -0.62 2.26 -0.65 0.98 0.00 0.00 173.24 175.32 3n0m h PRO 158 N 1.25 0.00 -0.88 4.02 0.11 -1.84 -2.23 132.00 132.43 3n0m h PRO 158 Ca -0.42 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 3n0m h PRO 158 Cb 1.26 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 3n0m h PRO 158 CO 0.65 0.00 0.49 -0.07 -0.21 0.00 0.00 178.00 178.86 3n0m h LEU 159 N 0.00 1.09 -0.47 2.35 3.38 -1.89 -1.42 115.31 118.36 3n0m h LEU 159 Ca 0.00 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.71 3n0m h LEU 159 Cb 0.03 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 3n0m h LEU 159 CO -0.00 0.87 -0.59 -0.09 0.09 0.00 0.00 178.44 178.71 3n0m h ARG 160 N 1.22 0.56 -0.06 1.13 9.65 -1.59 -1.48 114.38 123.81 3n0m h ARG 160 Ca 0.31 -0.37 -0.06 0.00 -1.10 0.00 0.00 59.98 58.76 3n0m h ARG 160 Cb 0.01 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 3n0m h ARG 160 CO -0.05 0.99 -0.24 0.87 2.80 0.00 0.00 179.97 184.34 3n0m h LYS 161 N 0.42 0.11 -0.13 0.20 1.79 -1.29 -1.36 116.57 116.31 3n0m h LYS 161 Ca -0.00 -0.03 -0.21 0.00 -2.18 0.00 0.00 60.65 58.23 3n0m h LYS 161 Cb 1.15 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 31.80 3n0m h LYS 161 CO 0.11 0.34 -0.75 0.82 -1.08 0.00 0.00 179.45 178.90 3n0m h ILE 162 N 0.10 1.30 -0.34 1.86 2.04 -0.88 -2.70 117.51 118.88 3n0m h ILE 162 Ca 0.02 -1.97 0.07 0.00 1.00 0.00 0.00 64.86 63.98 3n0m h ILE 162 Cb 0.48 2.07 -0.08 0.00 -0.74 0.00 0.00 36.82 38.55 3n0m h ILE 162 CO 0.03 0.62 -0.17 0.22 0.00 0.00 0.00 178.15 178.85 3n0m h TYR 163 N 0.44 -0.41 0.00 1.37 3.20 -1.05 -1.87 116.97 118.64 3n0m h TYR 163 Ca -0.06 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 3n0m h TYR 163 Cb 1.38 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.88 3n0m h TYR 163 CO 0.10 -0.24 -0.20 -0.44 -1.64 0.00 0.00 178.16 175.73 3n0m h ASP 164 N -0.11 0.00 -0.07 -2.11 3.32 -1.19 -1.03 116.42 115.22 3n0m h ASP 164 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3n0m h ASP 164 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3n0m h ASP 164 CO -0.41 0.20 0.00 0.18 -1.72 0.00 0.00 179.24 177.49 3n0m n LEU 165 N -3.59 1.29 -3.74 1.55 4.77 -0.99 -4.94 117.00 111.35 3n0m n LEU 165 Ca -0.01 -0.49 -0.26 0.00 -0.03 0.00 0.00 56.01 55.22 3n0m n LEU 165 Cb 0.34 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.44 3n0m n LEU 165 CO 0.33 0.24 0.14 -0.67 -1.33 0.00 0.00 177.39 176.10 3n0m n ASP 166 N 0.04 -4.75 -2.70 -1.43 2.03 -0.39 -4.94 116.55 104.42 3n0m n ASP 166 Ca 0.18 -0.68 -0.09 0.00 0.52 0.00 0.00 54.79 54.71 3n0m n ASP 166 Cb 0.30 -4.43 0.06 0.00 -0.72 0.00 0.00 41.12 36.33 3n0m n ASP 166 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3n0m n GLY 167 N -1.75 -0.63 3.47 0.27 0.00 -0.82 -4.83 105.19 100.89 3n0m n GLY 167 Ca -0.04 -1.78 -0.25 0.00 0.00 0.00 0.00 46.02 43.96 3n0m n GLY 167 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3n0m s TYR 168 N -1.61 2.32 -0.07 1.61 2.02 0.30 -0.33 117.35 121.58 3n0m s TYR 168 Ca 0.24 -0.33 0.04 0.00 -0.37 0.00 0.00 57.07 56.65 3n0m s TYR 168 Cb -0.01 -1.05 -0.02 0.00 -0.40 0.00 0.00 41.96 40.49 3n0m s TYR 168 CO 0.17 0.65 -0.18 0.42 -1.57 0.00 0.00 175.55 175.04 3n0m s ILE 169 N -2.25 2.69 -0.13 2.71 1.01 -1.26 -0.38 121.20 123.59 3n0m s ILE 169 Ca 0.27 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 60.11 3n0m s ILE 169 Cb -0.06 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.37 3n0m s ILE 169 CO 0.14 0.57 -0.22 -0.22 0.00 0.00 0.00 174.94 175.21 3n0m s LEU 170 N -0.30 2.06 -0.22 2.97 2.96 0.47 -4.36 118.68 122.27 3n0m s LEU 170 Ca 0.01 -0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 53.31 3n0m s LEU 170 Cb -0.13 -1.39 -0.01 0.00 0.50 0.00 0.00 46.19 45.16 3n0m s LEU 170 CO 0.03 0.09 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.34 3n0m s LEU 171 N 0.74 2.88 -0.36 -0.68 1.43 -0.48 -1.15 118.68 121.06 3n0m s LEU 171 Ca -0.09 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.59 3n0m s LEU 171 Cb -0.16 -1.73 0.08 0.00 0.03 0.00 0.00 46.19 44.41 3n0m s LEU 171 CO 0.00 -0.02 0.12 -0.63 0.23 0.00 0.00 176.35 176.05 3n0m s ILE 172 N 1.47 3.18 -0.26 -0.59 1.01 0.65 -1.36 121.20 125.30 3n0m s ILE 172 Ca 0.06 -1.76 0.00 0.00 0.00 0.00 0.00 60.65 58.95 3n0m s ILE 172 Cb -0.14 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.29 3n0m s ILE 172 CO -0.03 -0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.07 3n0m n GLY 173 N 4.61 0.51 3.20 6.18 0.00 -0.97 -0.89 105.19 117.82 3n0m n GLY 173 Ca -0.07 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 3n0m n GLY 173 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3n0m s VAL 174 N -1.79 0.95 0.00 1.61 -7.23 -1.26 -4.65 120.40 108.04 3n0m s VAL 174 Ca 0.00 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 3n0m s VAL 174 Cb 0.00 -1.62 0.00 0.00 0.56 0.00 0.00 36.38 35.32 3n0m s VAL 174 CO 0.00 -0.71 0.00 0.61 -0.31 0.00 0.00 175.10 174.69 3n0m n GLY 175 N 0.12 2.90 0.26 2.32 0.00 -1.26 -4.89 105.19 104.64 3n0m n GLY 175 Ca -0.13 -2.12 0.17 0.00 0.00 0.00 0.00 46.02 43.94 3n0m n GLY 175 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3n0m h TYR 176 N 0.20 0.00 0.00 1.61 0.05 -1.91 -2.17 116.97 114.75 3n0m h TYR 176 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3n0m h TYR 176 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3n0m h TYR 176 CO 0.00 0.00 0.00 -0.40 -1.05 0.00 0.00 178.16 176.71 3n0m n ASP 177 N -2.99 0.00 -0.69 3.88 3.85 -1.26 -1.23 116.55 118.11 3n0m n ASP 177 Ca 0.01 0.48 0.08 0.00 -0.71 0.00 0.00 54.79 54.65 3n0m n ASP 177 Cb 0.30 -0.49 0.09 0.00 -1.35 0.00 0.00 41.12 39.67 3n0m n ASP 177 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3n0m n SER 178 N -1.49 2.51 -4.46 -1.12 7.64 -0.82 -4.90 113.62 110.99 3n0m n SER 178 Ca 0.02 -1.73 -0.44 0.00 1.01 0.00 0.00 58.87 57.74 3n0m n SER 178 Cb 0.09 -0.05 -0.01 0.00 -1.01 0.00 0.00 64.21 63.22 3n0m n SER 178 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3n0m s ASN 179 N -1.29 6.84 0.45 6.43 3.84 -0.37 -4.87 114.94 125.98 3n0m s ASN 179 Ca 0.21 -2.50 0.16 0.00 0.21 0.00 0.00 52.86 50.95 3n0m s ASN 179 Cb 0.14 -2.40 1.11 0.00 -0.55 0.00 0.00 41.25 39.55 3n0m s ASN 179 CO 0.21 -0.91 1.98 0.74 -2.79 0.00 0.00 177.10 176.33 3n0m h THR 180 N 5.27 0.85 -0.76 -5.21 2.02 -1.90 -2.61 112.91 110.58 3n0m h THR 180 Ca 0.23 -0.11 0.22 0.00 0.77 0.00 0.00 66.41 67.52 3n0m h THR 180 Cb 0.95 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 3n0m h THR 180 CO 1.17 0.06 0.60 0.28 0.37 0.00 0.00 175.52 178.00 3n0m h SER 181 N 0.32 0.00 0.59 4.18 0.02 -1.97 -0.41 113.55 116.27 3n0m h SER 181 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3n0m h SER 181 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 3n0m h SER 181 CO -0.07 0.00 0.00 0.52 -1.14 0.00 0.00 176.83 176.14 3n0m n VAL 182 N -4.08 0.94 0.15 2.27 0.31 -0.98 -1.51 118.33 115.42 3n0m n VAL 182 Ca 0.15 0.25 0.04 0.00 -0.01 0.00 0.00 64.34 64.77 3n0m n VAL 182 Cb 0.88 -1.07 0.46 0.00 -0.91 0.00 0.00 33.84 33.20 3n0m n VAL 182 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3n0m h GLY 183 N 2.36 0.19 2.00 2.92 0.00 -1.29 -1.46 103.07 107.80 3n0m h GLY 183 Ca 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.15 3n0m h GLY 183 CO 0.00 0.10 -0.38 -2.00 0.00 0.00 0.00 176.54 174.26 3n0m h LEU 184 N 0.18 0.00 -0.45 3.11 5.85 -1.39 -1.39 115.31 121.22 3n0m h LEU 184 Ca 0.04 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 3n0m h LEU 184 Cb 0.25 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3n0m h LEU 184 CO 0.01 0.38 -0.16 0.28 -0.34 0.00 0.00 178.44 178.60 3n0m h SER 185 N 0.00 0.92 -0.11 1.25 0.02 -1.37 -1.79 113.55 112.47 3n0m h SER 185 Ca -0.00 -0.38 0.02 0.00 -0.84 0.00 0.00 61.79 60.58 3n0m h SER 185 Cb 0.87 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 3n0m h SER 185 CO 0.05 1.09 -0.03 -0.33 -1.14 0.00 0.00 176.83 176.48 3n0m h GLU 186 N 0.73 0.00 -0.42 3.45 5.08 -0.91 -1.99 114.58 120.53 3n0m h GLU 186 Ca 0.11 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3n0m h GLU 186 Cb 0.72 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 3n0m h GLU 186 CO 0.06 0.00 0.15 0.28 -1.00 0.00 0.00 179.01 178.50 3n0m h VAL 187 N 0.00 1.21 0.00 3.13 2.07 -1.22 0.63 116.25 122.07 3n0m h VAL 187 Ca 0.05 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3n0m h VAL 187 Cb 0.08 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3n0m h VAL 187 CO -0.11 0.24 0.00 0.03 0.02 0.00 0.00 177.57 177.75 3n0m h ARG 188 N 0.54 0.00 -0.00 1.57 3.08 -1.20 -2.95 114.38 115.42 3n0m h ARG 188 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3n0m h ARG 188 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3n0m h ARG 188 CO -0.01 0.00 -0.41 -1.13 -1.07 0.00 0.00 179.97 177.35 3n0m n SER 189 N -2.69 0.80 -1.53 7.04 3.41 -0.76 -5.00 113.62 114.90 3n0m n SER 189 Ca 0.01 -0.90 -0.10 0.00 -0.26 0.00 0.00 58.87 57.63 3n0m n SER 189 Cb 0.26 0.81 0.02 0.00 -0.26 0.00 0.00 64.21 65.04 3n0m n SER 189 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3n0m n GLY 190 N 1.15 0.20 0.20 5.00 0.00 0.14 -4.79 105.19 107.08 3n0m n GLY 190 Ca 0.03 -0.37 0.05 0.00 0.00 0.00 0.00 46.02 45.74 3n0m n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n0m h ALA 191 N 0.43 1.22 -2.19 4.61 0.00 -1.65 -3.45 119.26 118.24 3n0m h ALA 191 Ca -0.23 -0.31 -0.45 0.00 0.00 0.00 0.00 54.91 53.92 3n0m h ALA 191 Cb 1.16 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.75 3n0m h ALA 191 CO 0.24 0.43 -0.72 0.00 0.00 0.00 0.00 179.25 179.20 3n0m s GLU 193 N -3.67 2.87 0.32 0.00 0.41 -1.26 -4.75 118.70 112.60 3n0m s GLU 193 Ca 0.24 1.22 -0.15 0.00 -0.41 0.00 0.00 54.97 55.88 3n0m s GLU 193 Cb 0.01 -1.97 -0.09 0.00 -1.78 0.00 0.00 34.13 30.30 3n0m s GLU 193 CO 0.08 -1.18 0.72 -0.51 -0.49 0.00 0.00 175.26 173.88 3n0m s LEU 194 N -5.07 4.07 0.03 1.80 1.43 -1.26 -0.80 118.68 118.87 3n0m s LEU 194 Ca 0.63 1.25 0.01 0.00 -1.03 0.00 0.00 54.13 54.99 3n0m s LEU 194 Cb -0.17 -4.05 -0.02 0.00 0.03 0.00 0.00 46.19 41.97 3n0m s LEU 194 CO 0.45 -0.20 -0.05 0.27 0.23 0.00 0.00 176.35 177.06 3n0m s ILE 195 N -1.97 0.25 -0.13 -0.59 -4.36 0.67 -4.86 121.20 110.21 3n0m s ILE 195 Ca 0.54 -0.99 -0.29 0.00 -0.26 0.00 0.00 60.65 59.65 3n0m s ILE 195 Cb -0.10 -0.40 -0.01 0.00 1.25 0.00 0.00 42.46 43.19 3n0m s ILE 195 CO 0.18 -0.47 1.12 -0.54 0.24 0.00 0.00 174.94 175.46 3n0m s LYS 196 N -1.56 4.33 0.44 0.37 1.02 -1.26 -1.50 119.74 121.58 3n0m s LYS 196 Ca -0.14 1.52 0.03 0.00 0.02 0.00 0.00 55.97 57.41 3n0m s LYS 196 Cb -0.10 -3.61 -0.02 0.00 -0.52 0.00 0.00 37.83 33.58 3n0m s LYS 196 CO -0.01 -0.49 0.09 0.08 -0.92 0.00 0.00 175.35 174.10 3n0m s VAL 197 N 2.59 0.80 0.23 3.17 1.01 0.17 -4.97 120.40 123.40 3n0m s VAL 197 Ca 0.51 -2.00 -0.15 0.00 0.00 0.00 0.00 61.98 60.34 3n0m s VAL 197 Cb -0.20 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.88 3n0m s VAL 197 CO 0.16 0.00 0.52 -0.83 0.00 0.00 0.00 175.10 174.95 3n0m s GLY 198 N -3.69 0.27 -0.01 4.51 0.00 -1.26 -0.56 107.32 106.59 3n0m s GLY 198 Ca 0.19 -0.63 -0.30 0.00 0.00 0.00 0.00 44.72 43.98 3n0m s GLY 198 CO 0.11 -0.46 1.07 0.00 0.00 0.00 0.00 173.10 173.82 3n0m s ALA 199 N -3.96 -1.93 -0.19 3.20 0.00 -0.29 -3.09 121.76 115.49 3n0m s ALA 199 Ca 0.17 0.86 -0.08 0.00 0.00 0.00 0.00 51.96 52.91 3n0m s ALA 199 Cb -0.01 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 3n0m s ALA 199 CO 0.05 -0.83 0.08 -1.25 0.00 0.00 0.00 175.76 173.80 3n0m s PRO 200 N -2.84 4.01 0.12 0.00 0.04 -1.26 -0.01 135.00 135.05 3n0m s PRO 200 Ca 0.10 -0.32 0.03 0.00 0.04 0.00 0.00 61.00 60.84 3n0m s PRO 200 Cb 0.00 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 3n0m s PRO 200 CO -0.04 0.27 -0.08 0.96 0.04 0.00 0.00 177.00 178.15 3n0m s ILE 201 N 0.40 0.89 -0.66 0.56 -4.36 0.56 -1.11 121.20 117.48 3n0m s ILE 201 Ca 0.04 -1.96 -0.23 0.00 -0.26 0.00 0.00 60.65 58.24 3n0m s ILE 201 Cb -0.12 -1.72 0.06 0.00 1.25 0.00 0.00 42.46 41.93 3n0m s ILE 201 CO -0.00 -0.80 1.01 -0.63 0.24 0.00 0.00 174.94 174.75 3n0m s ILE 202 N -3.42 4.24 -0.38 8.37 -1.09 -1.26 -0.08 121.20 127.57 3n0m s ILE 202 Ca 0.13 -0.19 -0.08 0.00 -2.23 0.00 0.00 60.65 58.27 3n0m s ILE 202 Cb 0.04 -4.71 0.05 0.00 -1.58 0.00 0.00 42.46 36.26 3n0m s ILE 202 CO -0.02 -1.49 0.19 -0.70 -1.23 0.00 0.00 174.94 171.69 3n0m s GLU 203 N 4.30 2.64 -0.73 2.79 2.12 0.19 -4.52 118.70 125.50 3n0m s GLU 203 Ca 0.25 -1.29 -0.00 0.00 0.36 0.00 0.00 54.97 54.29 3n0m s GLU 203 Cb -0.15 -3.65 -0.00 0.00 0.26 0.00 0.00 34.13 30.58 3n0m s GLU 203 CO 0.12 -0.80 0.61 0.09 -0.54 0.00 0.00 175.26 174.74 3n0m n ASN 204 N 4.89 -2.31 -4.35 -1.70 3.02 -1.26 -2.64 115.26 110.90 3n0m n ASN 204 Ca -0.11 -0.39 -0.39 0.00 -0.03 0.00 0.00 54.58 53.67 3n0m n ASN 204 Cb 0.44 -3.35 -0.07 0.00 -0.61 0.00 0.00 39.78 36.19 3n0m n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3n0m n GLY 205 N -1.11 -0.41 2.75 7.41 0.00 -1.26 -4.93 105.19 107.64 3n0m n GLY 205 Ca -0.16 0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 3n0m n GLY 205 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3n0m s GLU 206 N -7.03 0.66 0.03 1.61 2.56 -1.08 -5.11 118.70 110.34 3n0m s GLU 206 Ca 0.76 -0.23 -0.38 0.00 0.00 0.00 0.00 54.97 55.11 3n0m s GLU 206 Cb -0.44 -1.71 -0.18 0.00 2.00 0.00 0.00 34.13 33.80 3n0m s GLU 206 CO 0.93 -0.52 1.24 -2.13 -0.56 0.00 0.00 175.26 174.23 3n0m n ARG 207 N 5.08 0.66 -3.84 4.30 0.63 -1.26 -0.63 116.66 121.60 3n0m n ARG 207 Ca -0.08 0.24 -0.12 0.00 -0.92 0.00 0.00 57.85 56.96 3n0m n ARG 207 Cb 0.48 -1.82 -0.13 0.00 0.45 0.00 0.00 32.46 31.44 3n0m n ARG 207 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3n0m s VAL 208 N 0.40 -0.00 -0.49 5.15 1.01 0.88 -4.83 120.40 122.52 3n0m s VAL 208 Ca 0.88 0.01 -0.23 0.00 0.00 0.00 0.00 61.98 62.63 3n0m s VAL 208 Cb -1.10 -0.14 0.03 0.00 0.00 0.00 0.00 36.38 35.18 3n0m s VAL 208 CO 0.52 0.00 0.83 0.86 0.00 0.00 0.00 175.10 177.32 3n0m s TRP 209 N 0.09 2.93 -0.18 5.22 -0.11 -1.26 -0.32 118.94 125.31 3n0m s TRP 209 Ca -0.00 0.06 -0.08 0.00 1.22 0.00 0.00 56.10 57.30 3n0m s TRP 209 Cb -0.01 -3.81 -0.04 0.00 -1.50 0.00 0.00 33.47 28.11 3n0m s TRP 209 CO -0.00 -1.12 0.07 0.21 -4.62 0.00 0.00 176.95 171.50 3n0m s LYS 210 N 3.48 3.94 0.04 5.86 2.20 0.99 -4.91 119.74 131.34 3n0m s LYS 210 Ca 0.29 -0.31 -0.10 0.00 -0.36 0.00 0.00 55.97 55.49 3n0m s LYS 210 Cb -0.13 -3.23 -0.05 0.00 -1.51 0.00 0.00 37.83 32.91 3n0m s LYS 210 CO 0.21 0.33 0.36 -1.21 -0.36 0.00 0.00 175.35 174.68 3n0m s GLU 211 N 0.22 3.74 0.18 4.03 2.02 -1.26 -1.14 118.70 126.50 3n0m s GLU 211 Ca 0.05 0.16 -0.23 0.00 0.02 0.00 0.00 54.97 54.97 3n0m s GLU 211 Cb -0.12 -3.07 0.07 0.00 0.10 0.00 0.00 34.13 31.11 3n0m s GLU 211 CO 0.00 0.62 1.01 -0.59 0.02 0.00 0.00 175.26 176.32 3n0m s PHE 212 N -1.29 0.01 -0.05 1.61 -0.12 0.28 -4.97 117.98 113.45 3n0m s PHE 212 Ca 0.29 -0.39 0.04 0.00 -0.05 0.00 0.00 56.93 56.82 3n0m s PHE 212 Cb -0.14 0.69 -0.02 0.00 -0.63 0.00 0.00 43.02 42.91 3n0m s PHE 212 CO 0.16 -0.91 -0.16 0.54 -0.05 0.00 0.00 175.22 174.79 3n0m s VAL 213 N -2.51 2.89 0.00 -2.49 0.11 -1.26 0.43 120.40 117.57 3n0m s VAL 213 Ca 0.18 -0.79 0.00 0.00 -2.93 0.00 0.00 61.98 58.45 3n0m s VAL 213 Cb -0.02 -2.12 0.00 0.00 -1.53 0.00 0.00 36.38 32.71 3n0m s VAL 213 CO 0.04 0.59 0.00 -0.67 -3.33 0.00 0.00 175.10 171.73 3n0m n ASP 214 N 2.40 0.00 -3.46 3.54 -0.08 -0.56 -4.28 116.55 114.10 3n0m n ASP 214 Ca -0.17 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 52.85 3n0m n ASP 214 Cb 0.52 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.89 3n0m n ASP 214 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 3n0m n ASP 216 N 0.00 1.85 -4.75 1.67 2.03 0.02 -0.24 116.55 117.13 3n0m n ASP 216 Ca 0.00 -2.99 -0.40 0.00 0.52 0.00 0.00 54.79 51.91 3n0m n ASP 216 Cb 0.00 -0.66 0.02 0.00 -0.72 0.00 0.00 41.12 39.76 3n0m n ASP 216 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 3n0m n TYR 217 N 1.61 2.62 -3.50 -0.67 4.01 -1.26 -4.70 117.16 115.26 3n0m n TYR 217 Ca 0.25 0.45 -0.23 0.00 -0.16 0.00 0.00 57.90 58.21 3n0m n TYR 217 Cb 0.44 -2.45 -0.13 0.00 -0.31 0.00 0.00 39.34 36.89 3n0m n TYR 217 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3n0m s ASP 218 N -0.45 2.46 0.00 7.72 2.15 -1.26 -4.99 116.67 122.30 3n0m s ASP 218 Ca 0.60 -0.85 0.25 0.00 0.43 0.00 0.00 52.55 52.99 3n0m s ASP 218 Cb -0.46 0.04 1.49 0.00 -0.30 0.00 0.00 42.92 43.68 3n0m s ASP 218 CO 0.58 -0.39 1.87 -1.54 -0.17 0.00 0.00 175.17 175.52 3n0m n SER 219 N 5.28 0.00 -0.25 -0.34 3.41 -1.26 -3.83 113.62 116.63 3n0m n SER 219 Ca -0.05 -0.73 0.31 0.00 -0.26 0.00 0.00 58.87 58.14 3n0m n SER 219 Cb 0.46 -0.03 0.72 0.00 -0.26 0.00 0.00 64.21 65.10 3n0m n SER 219 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3n0m h ASP 220 N 0.00 0.03 0.00 4.04 5.19 -1.95 -1.98 116.42 121.75 3n0m h ASP 220 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3n0m h ASP 220 Cb 0.02 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.53 3n0m h ASP 220 CO 0.00 0.01 -1.05 0.29 -3.12 0.00 0.00 179.24 175.36 3n0m n LYS 221 N -4.25 0.79 -0.19 3.56 4.76 -1.25 -4.50 118.16 117.08 3n0m n LYS 221 Ca 0.22 -0.03 -0.02 0.00 -2.87 0.00 0.00 58.31 55.61 3n0m n LYS 221 Cb 1.08 -1.39 0.09 0.00 -1.84 0.00 0.00 35.03 32.97 3n0m n LYS 221 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 3n0m h PHE 222 N 0.00 0.46 -0.14 2.13 -1.00 -1.60 -0.29 116.94 116.49 3n0m h PHE 222 Ca 0.00 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.81 3n0m h PHE 222 Cb 0.52 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.95 3n0m h PHE 222 CO 0.00 0.17 0.07 0.28 -1.61 0.00 0.00 178.31 177.22 3n0m h VAL 223 N 0.47 1.01 -0.77 -0.55 2.07 -1.79 -0.04 116.25 116.65 3n0m h VAL 223 Ca 0.28 -0.05 0.11 0.00 0.82 0.00 0.00 66.70 67.86 3n0m h VAL 223 Cb 0.28 0.83 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 3n0m h VAL 223 CO -0.24 0.03 0.38 -0.08 0.02 0.00 0.00 177.57 177.68 3n0m h GLU 224 N 0.16 0.59 -0.69 1.57 4.81 -1.72 -0.32 114.58 118.98 3n0m h GLU 224 Ca 0.06 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 3n0m h GLU 224 Cb 0.00 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 3n0m h GLU 224 CO -0.03 0.39 0.24 0.82 -0.73 0.00 0.00 179.01 179.69 3n0m h ILE 225 N 0.61 1.25 -0.35 2.32 2.04 -0.01 -2.55 117.51 120.81 3n0m h ILE 225 Ca 0.40 -0.82 -0.15 0.00 1.00 0.00 0.00 64.86 65.29 3n0m h ILE 225 Cb 0.48 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3n0m h ILE 225 CO -0.31 0.32 -0.37 1.23 0.00 0.00 0.00 178.15 179.03 3n0m h GLY 226 N 1.08 0.90 0.90 5.37 0.00 0.37 0.26 103.07 111.95 3n0m h GLY 226 Ca 0.23 -0.90 -0.03 0.00 0.00 0.00 0.00 47.33 46.63 3n0m h GLY 226 CO -0.01 0.81 0.08 -2.08 0.00 0.00 0.00 176.54 175.34 3n0m h VAL 227 N 0.69 1.21 -0.12 4.60 2.07 -0.90 -0.43 116.25 123.37 3n0m h VAL 227 Ca 0.06 -0.70 -0.19 0.00 0.82 0.00 0.00 66.70 66.70 3n0m h VAL 227 Cb 0.93 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 3n0m h VAL 227 CO 0.09 0.23 -0.70 -0.08 0.02 0.00 0.00 177.57 177.13 3n0m h GLU 228 N 0.34 0.53 -0.56 1.57 4.81 -1.27 -3.02 114.58 116.97 3n0m h GLU 228 Ca 0.10 -0.41 0.07 0.00 -0.13 0.00 0.00 59.36 58.99 3n0m h GLU 228 Cb 0.27 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.67 3n0m h GLU 228 CO -0.00 1.03 0.24 0.35 -0.73 0.00 0.00 179.01 179.90 3n0m h PHE 229 N 0.37 0.43 0.00 0.92 3.57 -0.37 -2.82 116.94 119.04 3n0m h PHE 229 Ca -0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3n0m h PHE 229 Cb 1.28 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.91 3n0m h PHE 229 CO 0.05 0.16 0.00 0.93 -2.23 0.00 0.00 178.31 177.23 3n0m h GLU 230 N 0.45 0.00 0.00 1.11 5.08 -0.94 -2.08 114.58 118.20 3n0m h GLU 230 Ca 0.27 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3n0m h GLU 230 Cb 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 3n0m h GLU 230 CO -0.23 0.00 -0.00 1.96 -1.00 0.00 0.00 179.01 179.73 3n0m h GLN 231 N 0.00 0.00 -0.00 2.33 4.20 -1.48 -1.00 115.11 119.15 3n0m h GLN 231 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3n0m h GLN 231 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3n0m h GLN 231 CO 0.00 0.00 -0.00 1.63 -0.67 0.00 0.00 178.83 179.79 3n0m n LYS 232 N -3.32 0.37 -2.44 1.46 5.02 -0.78 -4.93 118.16 113.54 3n0m n LYS 232 Ca -0.03 -0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.11 3n0m n LYS 232 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 3n0m n LYS 232 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3n0m n GLY 233 N 1.32 -0.20 1.04 0.72 0.00 -0.38 -4.91 105.19 102.78 3n0m n GLY 233 Ca 0.13 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 45.99 3n0m n GLY 233 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3n0m n THR 234 N -4.05 1.33 -4.46 2.61 -2.24 -1.26 -4.95 114.28 101.26 3n0m n THR 234 Ca -0.14 -1.15 -0.34 0.00 -2.27 0.00 0.00 64.05 60.16 3n0m n THR 234 Cb 0.61 0.33 -0.12 0.00 -2.10 0.00 0.00 70.33 69.06 3n0m n THR 234 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3n0m s VAL 235 N -1.39 3.83 0.81 2.28 1.01 -1.26 -4.71 120.40 120.96 3n0m s VAL 235 Ca 0.38 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 3n0m s VAL 235 Cb 0.22 -2.65 0.15 0.00 0.00 0.00 0.00 36.38 34.10 3n0m s VAL 235 CO 0.21 0.52 1.12 -0.89 0.00 0.00 0.00 175.10 176.06 3n0m s THR 236 N 0.14 2.11 0.00 3.92 2.01 0.26 -4.89 115.64 119.19 3n0m s THR 236 Ca -0.02 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 61.66 3n0m s THR 236 Cb -0.14 -2.79 0.00 0.00 0.01 0.00 0.00 72.50 69.59 3n0m s THR 236 CO 0.03 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.57 3n0m n GLY 238 N -3.20 2.08 3.83 4.40 0.00 -1.17 -0.61 105.19 110.52 3n0m n GLY 238 Ca 0.14 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 3n0m n GLY 238 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n0m s LYS 239 N -1.52 3.75 -0.42 1.61 1.02 -1.26 -0.78 119.74 122.14 3n0m s LYS 239 Ca 0.00 -0.02 -0.08 0.00 0.02 0.00 0.00 55.97 55.89 3n0m s LYS 239 Cb 0.00 -3.26 0.08 0.00 -0.52 0.00 0.00 37.83 34.13 3n0m s LYS 239 CO 0.00 0.62 0.25 0.42 -0.92 0.00 0.00 175.35 175.72 3n0m s ILE 240 N -0.62 4.10 0.00 2.17 1.01 -0.87 -4.84 121.20 122.14 3n0m s ILE 240 Ca 0.16 -1.50 0.00 0.00 0.00 0.00 0.00 60.65 59.31 3n0m s ILE 240 Cb -0.13 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.79 3n0m s ILE 240 CO 0.05 -0.54 0.00 0.61 0.00 0.00 0.00 174.94 175.06 3n0m n GLY 241 N 4.88 3.36 0.10 6.18 0.00 -1.26 -1.59 105.19 116.85 3n0m n GLY 241 Ca -0.09 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 45.94 3n0m n GLY 241 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3n0m n ASN 242 N 6.96 0.52 -4.76 1.61 3.02 0.11 -4.93 115.26 117.79 3n0m n ASN 242 Ca 0.00 -0.40 -0.39 0.00 -0.03 0.00 0.00 54.58 53.76 3n0m n ASN 242 Cb 0.00 -0.02 -0.06 0.00 -0.61 0.00 0.00 39.78 39.10 3n0m n ASN 242 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3n0m s ALA 243 N -2.68 3.47 -0.17 5.41 0.00 -0.62 -4.84 121.76 122.33 3n0m s ALA 243 Ca 0.21 0.04 -0.29 0.00 0.00 0.00 0.00 51.96 51.92 3n0m s ALA 243 Cb 0.19 -2.76 -0.01 0.00 0.00 0.00 0.00 23.12 20.53 3n0m s ALA 243 CO 0.55 0.14 1.28 0.15 0.00 0.00 0.00 175.76 177.88 3n0m s LYS 244 N -0.12 4.20 0.36 0.00 1.02 -1.26 -2.05 119.74 121.89 3n0m s LYS 244 Ca 0.32 1.65 0.09 0.00 0.02 0.00 0.00 55.97 58.04 3n0m s LYS 244 Cb -0.18 -3.78 -0.06 0.00 -0.52 0.00 0.00 37.83 33.28 3n0m s LYS 244 CO 0.17 -0.75 -0.03 0.00 -0.92 0.00 0.00 175.35 173.83 3n0m s ARG 246 N -3.68 0.18 0.06 0.00 0.52 -0.46 -3.02 118.95 112.55 3n0m s ARG 246 Ca 0.34 0.47 0.07 0.00 -0.52 0.00 0.00 55.73 56.09 3n0m s ARG 246 Cb 0.03 -0.12 -0.03 0.00 0.52 0.00 0.00 34.95 35.35 3n0m s ARG 246 CO 0.18 -0.16 -0.20 -1.17 0.02 0.00 0.00 175.30 173.97 3n0m s LEU 247 N 1.16 2.20 -0.16 2.53 2.96 0.22 -1.39 118.68 126.21 3n0m s LEU 247 Ca -0.09 -0.56 -0.10 0.00 -0.22 0.00 0.00 54.13 53.16 3n0m s LEU 247 Cb -0.10 -0.91 -0.05 0.00 0.50 0.00 0.00 46.19 45.63 3n0m s LEU 247 CO -0.07 0.12 0.18 -0.54 -1.32 0.00 0.00 176.35 174.72 3n0m s LYS 249 N -1.37 4.01 0.15 1.98 1.02 -1.26 -0.58 119.74 123.70 3n0m s LYS 249 Ca 0.06 -0.10 -0.14 0.00 0.02 0.00 0.00 55.97 55.82 3n0m s LYS 249 Cb -0.09 -3.36 0.04 0.00 -0.52 0.00 0.00 37.83 33.90 3n0m s LYS 249 CO 0.02 0.42 1.73 0.37 -0.92 0.00 0.00 175.35 176.97 3n0m h GLN 250 N 6.17 0.72 -0.70 1.68 4.15 -0.97 -2.30 115.11 123.87 3n0m h GLN 250 Ca -0.45 -0.11 0.18 0.00 0.77 0.00 0.00 58.65 59.04 3n0m h GLN 250 Cb 1.18 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.70 3n0m h GLN 250 CO 0.71 0.62 0.49 0.00 -1.93 0.00 0.00 178.83 178.71 3n0m h ARG 251 N 0.66 0.13 0.67 1.69 3.08 -1.89 0.65 114.38 119.37 3n0m h ARG 251 Ca 0.17 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 3n0m h ARG 251 Cb 0.14 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.17 3n0m h ARG 251 CO -0.02 0.09 -0.32 0.22 -1.07 0.00 0.00 179.97 178.87 3n0m h ASP 252 N 0.13 -0.76 -0.14 7.04 -0.00 -1.79 -2.26 116.42 118.65 3n0m h ASP 252 Ca 0.34 0.03 -0.12 0.00 -0.00 0.00 0.00 57.03 57.27 3n0m h ASP 252 Cb 1.14 0.20 -0.01 0.00 -0.00 0.00 0.00 39.33 40.66 3n0m h ASP 252 CO -0.05 -0.43 -0.32 -0.29 -0.00 0.00 0.00 179.24 178.15 3n0m h ILE 253 N -1.12 1.28 -0.54 2.25 6.09 -1.42 -1.36 117.51 122.70 3n0m h ILE 253 Ca -0.09 -1.45 -0.06 0.00 -1.37 0.00 0.00 64.86 61.89 3n0m h ILE 253 Cb 0.69 1.40 -0.02 0.00 0.47 0.00 0.00 36.82 39.36 3n0m h ILE 253 CO 0.15 0.47 0.10 0.58 -3.07 0.00 0.00 178.15 176.37 3n0m h VAL 254 N 0.54 1.25 -0.44 2.19 2.07 -0.94 -0.20 116.25 120.72 3n0m h VAL 254 Ca 0.06 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.58 3n0m h VAL 254 Cb 0.81 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3n0m h VAL 254 CO 0.07 0.34 0.03 0.44 0.02 0.00 0.00 177.57 178.47 3n0m h ASP 255 N 0.78 0.73 -0.10 0.57 3.32 -1.29 -0.73 116.42 119.71 3n0m h ASP 255 Ca 0.16 -0.29 0.03 0.00 0.02 0.00 0.00 57.03 56.95 3n0m h ASP 255 Cb 0.39 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 3n0m h ASP 255 CO 0.01 0.84 -0.06 0.15 -1.72 0.00 0.00 179.24 178.46 3n0m h PHE 256 N 0.60 -0.13 -0.93 4.55 3.57 -1.03 -2.45 116.94 121.12 3n0m h PHE 256 Ca 0.13 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.70 3n0m h PHE 256 Cb 0.44 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.19 3n0m h PHE 256 CO 0.03 -0.09 0.59 0.78 -2.23 0.00 0.00 178.31 177.40 3n0m h GLY 257 N -0.05 1.40 0.99 2.40 0.00 -0.80 0.12 103.07 107.12 3n0m h GLY 257 Ca 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3n0m h GLY 257 CO -0.13 0.32 0.05 -0.84 0.00 0.00 0.00 176.54 175.95 3n0m h THR 258 N 1.10 1.02 -0.32 4.70 2.02 -1.03 -1.99 112.91 118.41 3n0m h THR 258 Ca 0.39 -0.04 -0.04 0.00 0.77 0.00 0.00 66.41 67.50 3n0m h THR 258 Cb 0.13 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 3n0m h THR 258 CO -0.16 0.02 0.06 -0.33 0.37 0.00 0.00 175.52 175.49 3n0m h GLU 259 N 0.11 0.53 -0.17 6.66 4.39 -0.94 -2.91 114.58 122.25 3n0m h GLU 259 Ca 0.03 -0.13 0.05 0.00 0.34 0.00 0.00 59.36 59.65 3n0m h GLU 259 Cb -0.01 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.51 3n0m h GLU 259 CO -0.01 0.60 -0.38 2.35 -1.16 0.00 0.00 179.01 180.41 3n0m h TRP 260 N 0.36 -1.08 -0.72 4.33 7.01 -0.77 -1.49 115.95 123.59 3n0m h TRP 260 Ca 0.10 0.05 0.07 0.00 2.11 0.00 0.00 58.89 61.21 3n0m h TRP 260 Cb 0.32 0.50 -0.04 0.00 -2.10 0.00 0.00 29.16 27.84 3n0m h TRP 260 CO 0.02 -0.44 0.47 0.74 -2.79 0.00 0.00 178.44 176.44 3n0m h PHE 261 N -0.43 0.76 0.06 2.65 0.04 -1.31 -2.75 116.94 115.95 3n0m h PHE 261 Ca 0.09 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.88 3n0m h PHE 261 Cb 0.59 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.49 3n0m h PHE 261 CO -0.47 0.40 -0.03 0.00 -0.60 0.00 0.00 178.31 177.61 3n0m h ARG 262 N 0.75 -0.08 -1.49 1.51 3.08 -1.28 -3.15 114.38 113.72 3n0m h ARG 262 Ca 0.31 0.01 0.43 0.00 0.07 0.00 0.00 59.98 60.80 3n0m h ARG 262 Cb 0.27 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.28 3n0m h ARG 262 CO -0.10 0.36 1.24 0.87 -1.07 0.00 0.00 179.97 181.27 3n0m h LYS 263 N -0.54 0.00 0.00 0.04 1.79 -0.97 -3.52 116.57 113.37 3n0m h LYS 263 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3n0m h LYS 263 Cb 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 3n0m h LYS 263 CO 0.01 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.01