#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tpf n LYS 3 N 0.00 -0.71 -1.11 -1.46 5.02 -1.26 -4.95 118.16 113.69 1tpf n LYS 3 Ca 0.00 0.79 -0.29 0.00 -2.02 0.00 0.00 58.31 56.78 1tpf n LYS 3 Cb 0.00 -0.62 0.21 0.00 -0.02 0.00 0.00 35.03 34.61 1tpf n LYS 3 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1tpf s PRO 4 N -0.21 -0.54 0.13 1.97 0.04 -1.26 -4.88 135.00 130.25 1tpf s PRO 4 Ca 0.00 0.19 -0.33 0.00 0.04 0.00 0.00 61.00 60.90 1tpf s PRO 4 Cb 0.00 -1.65 -0.12 0.00 0.04 0.00 0.00 34.50 32.76 1tpf s PRO 4 CO 0.00 -3.31 1.73 0.94 0.04 0.00 0.00 177.00 176.40 1tpf n GLN 5 N -4.52 2.50 -1.76 4.56 7.27 -1.26 -4.95 117.38 119.21 1tpf n GLN 5 Ca 0.09 0.90 -0.30 0.00 0.07 0.00 0.00 57.00 57.76 1tpf n GLN 5 Cb 0.58 -2.74 0.05 0.00 2.41 0.00 0.00 30.24 30.55 1tpf n GLN 5 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1tpf s PRO 6 N 1.93 2.79 -0.02 3.69 0.04 -1.26 -4.89 135.00 137.28 1tpf s PRO 6 Ca 0.81 0.61 0.03 0.00 0.04 0.00 0.00 61.00 62.49 1tpf s PRO 6 Cb -0.58 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 31.96 1tpf s PRO 6 CO 0.38 -1.12 -0.12 0.42 0.04 0.00 0.00 177.00 176.61 1tpf s ILE 7 N -3.25 0.97 -0.33 0.56 1.01 -0.78 -1.38 121.20 118.01 1tpf s ILE 7 Ca 0.58 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.78 1tpf s ILE 7 Cb -0.12 -0.84 0.09 0.00 0.01 0.00 0.00 42.46 41.60 1tpf s ILE 7 CO 0.53 0.29 0.03 0.00 0.00 0.00 0.00 174.94 175.79 1tpf s ALA 8 N -0.01 2.86 -0.17 9.38 0.00 0.44 -1.29 121.76 132.96 1tpf s ALA 8 Ca -0.00 -2.38 -0.06 0.00 0.00 0.00 0.00 51.96 49.51 1tpf s ALA 8 Cb -0.08 -1.94 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 1tpf s ALA 8 CO 0.00 -1.60 0.04 0.00 0.00 0.00 0.00 175.76 174.20 1tpf s ALA 9 N 0.96 3.32 -0.27 0.00 0.00 0.33 -0.84 121.76 125.26 1tpf s ALA 9 Ca 0.07 -0.76 -0.12 0.00 0.00 0.00 0.00 51.96 51.14 1tpf s ALA 9 Cb -0.19 -1.82 -0.05 0.00 0.00 0.00 0.00 23.12 21.06 1tpf s ALA 9 CO -0.07 0.21 0.25 0.00 0.00 0.00 0.00 175.76 176.15 1tpf s ALA 10 N 0.30 3.55 -0.62 0.00 0.00 0.24 -1.20 121.76 124.03 1tpf s ALA 10 Ca 0.02 -0.98 -0.12 0.00 0.00 0.00 0.00 51.96 50.88 1tpf s ALA 10 Cb -0.13 -2.55 0.16 0.00 0.00 0.00 0.00 23.12 20.60 1tpf s ALA 10 CO 0.01 -0.56 0.54 1.21 0.00 0.00 0.00 175.76 176.96 1tpf s ASN 11 N 1.66 6.13 0.01 0.00 2.47 0.92 -0.39 114.94 125.74 1tpf s ASN 11 Ca 0.10 -2.22 0.16 0.00 0.42 0.00 0.00 52.86 51.31 1tpf s ASN 11 Cb -0.16 -2.12 0.67 0.00 -1.45 0.00 0.00 41.25 38.20 1tpf s ASN 11 CO 0.10 -0.67 1.50 0.79 -3.72 0.00 0.00 177.10 175.10 1tpf n TRP 12 N 4.56 0.03 -4.09 0.43 8.01 -0.77 -4.47 117.44 121.15 1tpf n TRP 12 Ca -0.01 0.01 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1tpf n TRP 12 Cb 0.42 -0.52 0.00 0.00 -2.01 0.00 0.00 31.31 29.20 1tpf n TRP 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1tpf n LYS 13 N -1.53 0.00 -2.44 -0.99 5.02 -1.26 -3.27 118.16 113.70 1tpf n LYS 13 Ca 0.04 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.90 1tpf n LYS 13 Cb 0.18 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.20 1tpf n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tpf s ASN 15 N 0.22 -0.13 0.00 0.00 0.01 -1.20 -5.14 114.94 108.70 1tpf s ASN 15 Ca 0.39 -0.73 0.00 0.00 -0.71 0.00 0.00 52.86 51.81 1tpf s ASN 15 Cb 0.10 0.55 0.00 0.00 0.41 0.00 0.00 41.25 42.31 1tpf s ASN 15 CO 0.01 -1.05 0.00 0.61 -1.51 0.00 0.00 177.10 175.17 1tpf n GLY 16 N -0.32 3.20 3.35 0.66 0.00 -1.26 -4.73 105.19 106.09 1tpf n GLY 16 Ca -0.06 -1.70 -0.20 0.00 0.00 0.00 0.00 46.02 44.05 1tpf n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tpf s SER 17 N 0.00 2.68 0.28 1.61 1.04 -1.26 -4.99 113.70 113.06 1tpf s SER 17 Ca 0.00 -0.95 -0.03 0.00 0.48 0.00 0.00 55.95 55.46 1tpf s SER 17 Cb 0.00 -0.16 0.41 0.00 0.10 0.00 0.00 66.02 66.37 1tpf s SER 17 CO 0.00 -0.10 1.94 1.56 0.98 0.00 0.00 173.24 177.63 1tpf h GLN 18 N 2.86 1.14 0.16 4.02 4.20 -2.00 -0.96 115.11 124.53 1tpf h GLN 18 Ca -0.40 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.23 1tpf h GLN 18 Cb 1.22 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.74 1tpf h GLN 18 CO 0.57 0.75 -0.08 0.37 -0.67 0.00 0.00 178.83 179.77 1tpf h GLN 19 N 1.17 -0.21 -0.52 1.46 5.75 -1.99 -2.16 115.11 118.60 1tpf h GLN 19 Ca 0.35 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.86 1tpf h GLN 19 Cb -0.05 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 1tpf h GLN 19 CO -0.09 0.07 0.34 0.66 -2.65 0.00 0.00 178.83 177.16 1tpf h SER 20 N -0.50 0.61 0.46 -0.69 4.64 -1.93 -2.56 113.55 113.57 1tpf h SER 20 Ca -0.02 -0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.13 1tpf h SER 20 Cb 0.38 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1tpf h SER 20 CO 0.04 0.46 -0.59 -0.07 -0.87 0.00 0.00 176.83 175.79 1tpf h LEU 21 N 0.71 0.15 -0.75 5.97 3.38 -1.22 -2.78 115.31 120.76 1tpf h LEU 21 Ca 0.19 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1tpf h LEU 21 Cb -0.06 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1tpf h LEU 21 CO -0.04 0.70 -0.14 0.28 0.09 0.00 0.00 178.44 179.33 1tpf h SER 22 N 0.10 0.80 -0.16 -0.43 0.02 -1.18 -1.51 113.55 111.19 1tpf h SER 22 Ca -0.00 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 1tpf h SER 22 Cb 1.06 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 1tpf h SER 22 CO 0.08 0.95 0.05 -0.33 -1.14 0.00 0.00 176.83 176.44 1tpf h GLU 23 N 0.72 0.25 -0.90 3.45 5.08 -1.39 0.12 114.58 121.91 1tpf h GLU 23 Ca 0.11 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1tpf h GLU 23 Cb 0.64 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1tpf h GLU 23 CO 0.04 0.37 0.55 1.25 -1.00 0.00 0.00 179.01 180.23 1tpf h LEU 24 N 0.08 1.07 -1.02 1.33 5.85 -1.37 -1.28 115.31 119.97 1tpf h LEU 24 Ca 0.05 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 1tpf h LEU 24 Cb 0.23 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1tpf h LEU 24 CO -0.00 0.81 -0.37 0.40 -0.34 0.00 0.00 178.44 178.94 1tpf h ILE 25 N 1.23 1.29 -0.39 4.05 2.04 -1.12 0.52 117.51 125.13 1tpf h ILE 25 Ca 0.32 -1.41 -0.05 0.00 1.00 0.00 0.00 64.86 64.73 1tpf h ILE 25 Cb -0.07 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1tpf h ILE 25 CO -0.06 0.42 0.06 0.44 0.00 0.00 0.00 178.15 179.01 1tpf h ASP 26 N 0.20 0.63 0.17 1.72 3.32 -0.02 -1.30 116.42 121.14 1tpf h ASP 26 Ca 0.02 -0.26 0.02 0.00 0.02 0.00 0.00 57.03 56.83 1tpf h ASP 26 Cb 0.75 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 1tpf h ASP 26 CO 0.06 0.73 -0.34 0.25 -1.72 0.00 0.00 179.24 178.22 1tpf h LEU 27 N 0.50 -0.98 -1.09 1.55 5.85 -0.67 -2.38 115.31 118.10 1tpf h LEU 27 Ca 0.12 0.11 0.11 0.00 0.84 0.00 0.00 57.88 59.05 1tpf h LEU 27 Cb 0.37 0.36 -0.08 0.00 0.37 0.00 0.00 40.66 41.69 1tpf h LEU 27 CO 0.01 -0.44 0.62 -0.26 -0.34 0.00 0.00 178.44 178.02 1tpf h PHE 28 N -0.60 1.07 0.00 1.25 0.04 -0.80 -1.79 116.94 116.11 1tpf h PHE 28 Ca 0.02 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 1tpf h PHE 28 Cb 0.61 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 38.41 1tpf h PHE 28 CO -0.28 0.46 -0.08 -0.91 -0.60 0.00 0.00 178.31 176.90 1tpf h ASN 29 N 0.97 0.00 -0.36 2.17 2.35 -0.74 -2.87 115.58 117.09 1tpf h ASN 29 Ca 0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.21 1tpf h ASN 29 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1tpf h ASN 29 CO -0.22 0.08 0.00 -1.20 -1.65 0.00 0.00 177.43 174.44 1tpf n SER 30 N -3.23 2.93 -4.69 5.81 7.64 -0.69 -4.82 113.62 116.57 1tpf n SER 30 Ca 0.00 -1.92 -0.39 0.00 1.01 0.00 0.00 58.87 57.57 1tpf n SER 30 Cb 0.33 -0.23 -0.06 0.00 -1.01 0.00 0.00 64.21 63.23 1tpf n SER 30 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1tpf s THR 31 N -1.54 5.14 -0.23 0.44 2.01 -1.09 -5.06 115.64 115.31 1tpf s THR 31 Ca 0.37 0.97 -0.23 0.00 0.31 0.00 0.00 61.69 63.10 1tpf s THR 31 Cb 0.21 -3.84 -0.01 0.00 0.01 0.00 0.00 72.50 68.87 1tpf s THR 31 CO 0.29 0.24 0.77 -0.55 -0.69 0.00 0.00 174.62 174.68 1tpf s SER 32 N 0.93 6.78 -0.29 3.53 0.15 -1.26 -5.02 113.70 118.53 1tpf s SER 32 Ca 0.25 0.96 0.01 0.00 0.70 0.00 0.00 55.95 57.87 1tpf s SER 32 Cb -0.15 -2.41 0.06 0.00 -1.71 0.00 0.00 66.02 61.81 1tpf s SER 32 CO 0.10 -0.45 -0.04 -0.63 1.20 0.00 0.00 173.24 173.42 1tpf s ILE 33 N 2.60 2.60 -0.63 6.45 1.01 -1.26 -5.00 121.20 126.98 1tpf s ILE 33 Ca 0.33 -1.54 0.24 0.00 0.00 0.00 0.00 60.65 59.68 1tpf s ILE 33 Cb -0.16 -2.53 0.11 0.00 0.01 0.00 0.00 42.46 39.90 1tpf s ILE 33 CO 0.08 -0.10 1.42 0.78 0.00 0.00 0.00 174.94 177.13 1tpf h ASN 34 N 7.88 0.00 -1.19 3.58 2.35 -2.00 -3.48 115.58 122.73 1tpf h ASN 34 Ca -0.19 -0.14 -0.52 0.00 -0.55 0.00 0.00 56.30 54.89 1tpf h ASN 34 Cb 1.05 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.39 1tpf h ASN 34 CO 0.50 0.07 -0.34 -1.38 -1.65 0.00 0.00 177.43 174.63 1tpf s HIS 35 N -3.17 2.29 -0.60 1.19 -3.43 -1.26 -5.05 115.29 105.26 1tpf s HIS 35 Ca 0.07 -0.62 -0.28 0.00 -0.80 0.00 0.00 55.06 53.43 1tpf s HIS 35 Cb 0.12 -2.09 0.03 0.00 -1.43 0.00 0.00 32.58 29.21 1tpf s HIS 35 CO 0.69 -0.29 1.20 0.34 -2.00 0.00 0.00 174.74 174.69 1tpf s ASP 36 N -4.21 6.41 -0.10 7.38 2.15 -1.26 -4.97 116.67 122.08 1tpf s ASP 36 Ca 0.45 0.04 -0.15 0.00 0.43 0.00 0.00 52.55 53.32 1tpf s ASP 36 Cb -0.03 -2.55 0.03 0.00 -0.30 0.00 0.00 42.92 40.07 1tpf s ASP 36 CO 0.27 -1.53 0.38 0.54 -0.17 0.00 0.00 175.17 174.66 1tpf s VAL 37 N 5.06 0.02 -0.37 1.11 0.11 -1.26 -4.33 120.40 120.74 1tpf s VAL 37 Ca 0.42 -0.16 -0.14 0.00 -2.93 0.00 0.00 61.98 59.16 1tpf s VAL 37 Cb -0.07 -0.59 -0.00 0.00 -1.53 0.00 0.00 36.38 34.18 1tpf s VAL 37 CO 0.24 -0.09 0.30 -1.58 -3.33 0.00 0.00 175.10 170.64 1tpf s GLN 38 N -0.39 3.33 -0.12 1.54 2.00 -0.48 -4.92 119.66 120.61 1tpf s GLN 38 Ca -0.05 -0.71 -0.08 0.00 -2.00 0.00 0.00 55.36 52.52 1tpf s GLN 38 Cb -0.03 -3.87 -0.04 0.00 0.80 0.00 0.00 33.01 29.86 1tpf s GLN 38 CO 0.02 -0.58 0.15 0.00 -0.50 0.00 0.00 175.29 174.39 1tpf s VAL 40 N -0.84 0.60 -0.21 0.00 1.01 -0.02 -1.65 120.40 119.30 1tpf s VAL 40 Ca 0.15 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1tpf s VAL 40 Cb -0.12 -0.54 0.03 0.00 0.00 0.00 0.00 36.38 35.75 1tpf s VAL 40 CO 0.04 0.19 -0.16 -0.69 0.00 0.00 0.00 175.10 174.48 1tpf s VAL 41 N 0.11 2.26 -0.46 2.92 1.01 -0.21 0.81 120.40 126.84 1tpf s VAL 41 Ca -0.01 -1.06 -0.09 0.00 0.00 0.00 0.00 61.98 60.81 1tpf s VAL 41 Cb -0.06 -2.06 0.11 0.00 0.00 0.00 0.00 36.38 34.37 1tpf s VAL 41 CO -0.00 0.38 0.33 0.00 0.00 0.00 0.00 175.10 175.80 1tpf s ALA 42 N 1.27 3.37 0.46 5.51 0.00 0.48 -0.78 121.76 132.06 1tpf s ALA 42 Ca 0.02 -2.47 0.08 0.00 0.00 0.00 0.00 51.96 49.58 1tpf s ALA 42 Cb -0.15 -2.78 0.02 0.00 0.00 0.00 0.00 23.12 20.21 1tpf s ALA 42 CO -0.10 -1.86 0.57 -1.54 0.00 0.00 0.00 175.76 172.83 1tpf s SER 43 N 2.56 5.37 0.90 0.00 1.04 -1.20 -1.84 113.70 120.53 1tpf s SER 43 Ca 0.05 -0.61 -0.11 0.00 0.48 0.00 0.00 55.95 55.76 1tpf s SER 43 Cb -0.26 -0.39 0.13 0.00 0.10 0.00 0.00 66.02 65.61 1tpf s SER 43 CO -0.00 -0.87 1.11 0.42 0.98 0.00 0.00 173.24 174.87 1tpf s THR 44 N -2.46 2.51 0.27 2.02 -4.23 -1.26 -4.29 115.64 108.20 1tpf s THR 44 Ca 0.54 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 61.21 1tpf s THR 44 Cb -0.07 -2.39 0.26 0.00 1.34 0.00 0.00 72.50 71.64 1tpf s THR 44 CO 0.33 -0.21 1.81 -0.26 -0.54 0.00 0.00 174.62 175.74 1tpf h PHE 45 N -1.71 1.01 -0.06 3.99 0.04 -1.96 -1.76 116.94 116.49 1tpf h PHE 45 Ca -0.46 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.31 1tpf h PHE 45 Cb 1.27 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 39.10 1tpf h PHE 45 CO 0.48 0.36 -0.12 0.28 -0.60 0.00 0.00 178.31 178.72 1tpf h VAL 46 N 0.86 1.12 -0.02 -0.55 2.07 -2.03 -2.83 116.25 114.87 1tpf h VAL 46 Ca 0.48 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1tpf h VAL 46 Cb 0.53 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1tpf h VAL 46 CO -0.29 0.16 -0.02 1.41 0.02 0.00 0.00 177.57 178.85 1tpf n HIS 47 N -4.35 0.00 -0.34 1.57 8.25 -0.68 -4.25 115.22 115.41 1tpf n HIS 47 Ca -0.02 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.47 1tpf n HIS 47 Cb 0.22 -0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.49 1tpf n HIS 47 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1tpf h LEU 48 N 3.18 0.93 0.35 2.41 3.38 -1.31 -2.10 115.31 122.16 1tpf h LEU 48 Ca 0.00 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1tpf h LEU 48 Cb 0.69 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1tpf h LEU 48 CO 0.00 0.57 -0.17 0.00 0.09 0.00 0.00 178.44 178.94 1tpf h ALA 49 N 1.45 -0.47 -0.56 1.53 0.00 -1.80 -0.91 119.26 118.50 1tpf h ALA 49 Ca 0.42 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1tpf h ALA 49 Cb 0.23 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1tpf h ALA 49 CO -0.19 -0.75 0.28 1.98 0.00 0.00 0.00 179.25 180.56 1tpf h MET 50 N -0.50 0.78 -0.12 0.00 1.85 -1.82 -1.57 114.93 113.55 1tpf h MET 50 Ca -0.05 -0.09 -0.01 0.00 -0.61 0.00 0.00 59.70 58.94 1tpf h MET 50 Cb 0.38 -0.15 -0.00 0.00 0.43 0.00 0.00 31.60 32.25 1tpf h MET 50 CO 0.08 0.60 0.03 1.15 -0.40 0.00 0.00 176.91 178.37 1tpf h THR 51 N 0.78 1.20 -0.42 -0.77 2.02 -1.21 -0.34 112.91 114.16 1tpf h THR 51 Ca 0.20 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 1tpf h THR 51 Cb 0.07 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1tpf h THR 51 CO -0.03 0.18 0.26 0.50 0.37 0.00 0.00 175.52 176.80 1tpf h LYS 52 N -0.01 0.56 0.12 6.66 3.64 -0.92 -0.15 116.57 126.48 1tpf h LYS 52 Ca 0.04 -0.04 -0.30 0.00 -1.27 0.00 0.00 60.65 59.07 1tpf h LYS 52 Cb 0.25 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1tpf h LYS 52 CO 0.00 0.39 -1.50 1.49 -2.27 0.00 0.00 179.45 177.56 1tpf h GLU 53 N 0.57 0.26 0.01 1.90 4.81 -1.04 -3.39 114.58 117.71 1tpf h GLU 53 Ca 0.15 -0.45 -0.31 0.00 -0.13 0.00 0.00 59.36 58.63 1tpf h GLU 53 Cb -0.03 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 1tpf h GLU 53 CO -0.03 1.14 -1.82 0.54 -0.73 0.00 0.00 179.01 178.11 1tpf n ARG 54 N -3.47 0.65 -2.43 1.92 1.74 -0.16 -4.82 116.66 110.08 1tpf n ARG 54 Ca -0.16 0.26 -0.42 0.00 -0.77 0.00 0.00 57.85 56.76 1tpf n ARG 54 Cb 1.04 -1.75 -0.02 0.00 -1.02 0.00 0.00 32.46 30.71 1tpf n ARG 54 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1tpf s LEU 55 N -6.08 3.52 -0.01 0.55 0.20 -0.08 -4.82 118.68 111.97 1tpf s LEU 55 Ca -0.07 0.53 0.12 0.00 0.69 0.00 0.00 54.13 55.41 1tpf s LEU 55 Cb 0.08 -3.36 -0.15 0.00 -0.43 0.00 0.00 46.19 42.32 1tpf s LEU 55 CO 0.82 -1.49 0.44 -1.54 -0.29 0.00 0.00 176.35 174.29 1tpf n SER 56 N 8.86 1.04 -4.68 3.68 3.41 -1.26 -4.88 113.62 119.79 1tpf n SER 56 Ca 0.14 -0.55 -0.49 0.00 -0.26 0.00 0.00 58.87 57.71 1tpf n SER 56 Cb 0.49 1.17 -0.05 0.00 -0.26 0.00 0.00 64.21 65.56 1tpf n SER 56 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1tpf n HIS 57 N -1.48 2.24 0.32 7.33 -0.00 -1.26 -4.85 115.22 117.52 1tpf n HIS 57 Ca 0.01 0.15 0.10 0.00 -0.00 0.00 0.00 57.72 57.99 1tpf n HIS 57 Cb 0.23 -2.60 0.47 0.00 -0.00 0.00 0.00 29.99 28.09 1tpf n HIS 57 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1tpf n PRO 58 N 5.52 0.15 -0.04 1.57 -0.04 -1.26 -2.03 135.00 138.87 1tpf n PRO 58 Ca 0.21 0.47 0.12 0.00 -0.04 0.00 0.00 63.50 64.26 1tpf n PRO 58 Cb 0.27 -1.83 0.49 0.00 -0.04 0.00 0.00 33.50 32.38 1tpf n PRO 58 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1tpf n LYS 59 N -2.12 1.57 -4.22 0.54 5.02 -1.26 -4.87 118.16 112.82 1tpf n LYS 59 Ca 0.01 -0.85 -0.29 0.00 -2.02 0.00 0.00 58.31 55.17 1tpf n LYS 59 Cb 0.15 -1.42 -0.09 0.00 -0.02 0.00 0.00 35.03 33.66 1tpf n LYS 59 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1tpf s PHE 60 N -1.89 2.77 0.07 2.13 0.40 -0.86 -1.82 117.98 118.78 1tpf s PHE 60 Ca 0.35 -0.15 0.02 0.00 -0.60 0.00 0.00 56.93 56.55 1tpf s PHE 60 Cb 0.18 -1.41 -0.03 0.00 0.51 0.00 0.00 43.02 42.27 1tpf s PHE 60 CO 0.29 0.46 -0.08 0.14 0.70 0.00 0.00 175.22 176.73 1tpf s VAL 61 N -1.39 0.67 0.19 -0.44 -7.23 -0.66 -4.95 120.40 106.60 1tpf s VAL 61 Ca 0.23 -1.50 0.07 0.00 -1.81 0.00 0.00 61.98 58.97 1tpf s VAL 61 Cb -0.10 -1.14 -0.04 0.00 0.56 0.00 0.00 36.38 35.65 1tpf s VAL 61 CO 0.15 -0.59 0.09 0.27 -0.31 0.00 0.00 175.10 174.71 1tpf s ILE 62 N -2.39 4.14 0.16 -0.62 -0.00 -1.26 -1.04 121.20 120.19 1tpf s ILE 62 Ca 0.01 -1.32 -0.08 0.00 -0.00 0.00 0.00 60.65 59.26 1tpf s ILE 62 Cb -0.03 -3.14 -0.01 0.00 -0.00 0.00 0.00 42.46 39.28 1tpf s ILE 62 CO -0.02 -0.18 0.25 0.00 -0.00 0.00 0.00 174.94 175.00 1tpf s ALA 63 N -1.86 0.13 0.27 2.27 0.00 0.04 -3.95 121.76 118.66 1tpf s ALA 63 Ca 0.30 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.33 1tpf s ALA 63 Cb -0.09 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.87 1tpf s ALA 63 CO 0.22 -0.62 0.40 0.00 0.00 0.00 0.00 175.76 175.76 1tpf s ALA 64 N -3.98 3.95 -2.20 0.00 0.00 -0.53 -3.23 121.76 115.76 1tpf s ALA 64 Ca 0.18 -1.23 0.25 0.00 0.00 0.00 0.00 51.96 51.16 1tpf s ALA 64 Cb 0.04 -1.77 0.43 0.00 0.00 0.00 0.00 23.12 21.81 1tpf s ALA 64 CO 0.00 0.16 1.37 1.04 0.00 0.00 0.00 175.76 178.33 1tpf n GLN 65 N -1.50 1.37 0.00 0.00 6.02 -1.26 -0.98 117.38 121.03 1tpf n GLN 65 Ca -0.07 -1.01 0.00 0.00 -0.01 0.00 0.00 57.00 55.91 1tpf n GLN 65 Cb 0.57 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.35 1tpf n GLN 65 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1tpf n ASN 66 N 0.06 0.00 -3.63 1.08 5.15 -1.21 -4.64 115.26 112.07 1tpf n ASN 66 Ca 0.13 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.11 1tpf n ASN 66 Cb 0.44 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.68 1tpf n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1tpf s ALA 67 N -2.00 -2.15 0.25 5.20 0.00 -1.26 -4.95 121.76 116.85 1tpf s ALA 67 Ca 0.00 0.70 0.09 0.00 0.00 0.00 0.00 51.96 52.75 1tpf s ALA 67 Cb 0.00 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.43 1tpf s ALA 67 CO 0.00 -1.01 0.01 0.96 0.00 0.00 0.00 175.76 175.72 1tpf s ILE 68 N -2.54 3.55 0.19 0.00 -4.36 0.03 -4.96 121.20 113.11 1tpf s ILE 68 Ca 0.13 -1.82 -0.06 0.00 -0.26 0.00 0.00 60.65 58.65 1tpf s ILE 68 Cb 0.04 -2.88 -0.00 0.00 1.25 0.00 0.00 42.46 40.86 1tpf s ILE 68 CO -0.03 -0.34 1.56 0.00 0.24 0.00 0.00 174.94 176.37 1tpf h ALA 69 N 1.97 0.75 -2.93 2.27 0.00 -1.93 -1.69 119.26 117.71 1tpf h ALA 69 Ca -0.45 -0.42 -0.38 0.00 0.00 0.00 0.00 54.91 53.66 1tpf h ALA 69 Cb 1.24 -0.13 -0.19 0.00 0.00 0.00 0.00 17.79 18.71 1tpf h ALA 69 CO 0.60 0.66 -0.75 -1.59 0.00 0.00 0.00 179.25 178.16 1tpf s LYS 70 N -4.45 0.93 0.71 0.00 0.00 -1.26 -4.19 119.74 111.49 1tpf s LYS 70 Ca -0.10 -1.17 -0.11 0.00 0.00 0.00 0.00 55.97 54.60 1tpf s LYS 70 Cb 0.12 -0.77 0.02 0.00 0.00 0.00 0.00 37.83 37.20 1tpf s LYS 70 CO 0.85 0.15 1.07 -1.12 0.00 0.00 0.00 175.35 176.29 1tpf s SER 71 N -2.33 5.24 0.00 0.03 0.01 -1.26 -4.70 113.70 110.69 1tpf s SER 71 Ca 0.06 1.55 0.00 0.00 1.31 0.00 0.00 55.95 58.87 1tpf s SER 71 Cb -0.05 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1tpf s SER 71 CO 0.02 -1.52 0.00 0.61 0.41 0.00 0.00 173.24 172.76 1tpf n GLY 72 N -2.05 -0.16 2.84 3.44 0.00 -1.26 -4.99 105.19 103.01 1tpf n GLY 72 Ca 0.07 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 1tpf n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tpf n ALA 73 N -0.23 5.34 -3.46 4.61 0.00 -1.26 -4.72 120.51 120.78 1tpf n ALA 73 Ca 0.00 -4.02 -0.26 0.00 0.00 0.00 0.00 53.44 49.16 1tpf n ALA 73 Cb 0.00 -3.36 -0.09 0.00 0.00 0.00 0.00 19.45 15.99 1tpf n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1tpf n PHE 74 N 5.55 0.89 -1.63 0.00 3.72 -1.26 -5.11 117.46 119.63 1tpf n PHE 74 Ca 0.48 -3.73 -0.49 0.00 -0.05 0.00 0.00 57.45 53.65 1tpf n PHE 74 Cb 0.39 -0.22 -0.05 0.00 -0.94 0.00 0.00 39.48 38.65 1tpf n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1tpf n THR 75 N 1.96 0.04 0.00 4.37 -1.04 -1.26 -2.24 114.28 116.11 1tpf n THR 75 Ca 0.25 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1tpf n THR 75 Cb 0.45 -1.16 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 1tpf n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1tpf n GLY 76 N 2.91 3.30 3.98 3.41 0.00 -1.26 -5.06 105.19 112.47 1tpf n GLY 76 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 1tpf n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tpf s GLU 77 N -0.82 2.93 -0.07 1.61 0.41 -0.95 -5.12 118.70 116.69 1tpf s GLU 77 Ca 0.00 -0.84 0.03 0.00 -0.41 0.00 0.00 54.97 53.75 1tpf s GLU 77 Cb 0.00 -2.66 0.01 0.00 -1.78 0.00 0.00 34.13 29.70 1tpf s GLU 77 CO 0.00 -0.26 -0.14 0.08 -0.49 0.00 0.00 175.26 174.45 1tpf s VAL 78 N -2.45 1.27 0.31 2.63 1.01 -1.26 -5.00 120.40 116.91 1tpf s VAL 78 Ca 0.50 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.96 1tpf s VAL 78 Cb -0.10 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 1tpf s VAL 78 CO 0.35 0.38 0.45 -0.94 0.00 0.00 0.00 175.10 175.35 1tpf s SER 79 N 0.55 6.13 0.21 3.32 1.04 -1.26 -0.79 113.70 122.91 1tpf s SER 79 Ca -0.14 0.03 -0.09 0.00 0.48 0.00 0.00 55.95 56.23 1tpf s SER 79 Cb -0.16 -1.60 0.26 0.00 0.10 0.00 0.00 66.02 64.62 1tpf s SER 79 CO 0.04 -0.30 1.80 -0.07 0.98 0.00 0.00 173.24 175.69 1tpf h LEU 80 N 0.94 0.53 -1.08 2.42 3.38 -1.47 -2.34 115.31 117.68 1tpf h LEU 80 Ca -0.49 0.04 0.08 0.00 0.09 0.00 0.00 57.88 57.60 1tpf h LEU 80 Cb 1.24 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.86 1tpf h LEU 80 CO 0.57 0.33 0.62 -0.65 0.09 0.00 0.00 178.44 179.41 1tpf h PRO 81 N 0.66 1.02 -0.39 1.13 0.11 -1.87 0.36 132.00 133.02 1tpf h PRO 81 Ca 0.31 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 66.21 1tpf h PRO 81 Cb 0.22 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 1tpf h PRO 81 CO -0.20 0.67 -0.35 0.82 -0.21 0.00 0.00 178.00 178.74 1tpf h ILE 82 N 1.05 1.27 -0.16 4.15 2.04 -1.84 0.09 117.51 124.11 1tpf h ILE 82 Ca 0.43 -1.52 -0.02 0.00 1.00 0.00 0.00 64.86 64.76 1tpf h ILE 82 Cb 0.29 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1tpf h ILE 82 CO -0.19 0.51 0.02 -0.07 0.00 0.00 0.00 178.15 178.43 1tpf h LEU 83 N 0.74 0.25 -0.34 1.44 3.38 -0.80 -1.61 115.31 118.38 1tpf h LEU 83 Ca 0.07 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.82 1tpf h LEU 83 Cb 0.92 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 1tpf h LEU 83 CO 0.09 0.45 0.12 0.50 0.09 0.00 0.00 178.44 179.69 1tpf h LYS 84 N 0.05 0.26 -0.19 1.13 3.64 -0.24 -0.08 116.57 121.13 1tpf h LYS 84 Ca 0.05 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 1tpf h LYS 84 Cb 0.31 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1tpf h LYS 84 CO 0.00 0.17 0.15 0.22 -2.27 0.00 0.00 179.45 177.72 1tpf h ASP 85 N 0.27 0.00 0.18 4.20 3.58 -0.80 -0.29 116.42 123.56 1tpf h ASP 85 Ca 0.15 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.60 1tpf h ASP 85 Cb 0.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1tpf h ASP 85 CO -0.15 0.00 -0.07 0.33 -2.88 0.00 0.00 179.24 176.46 1tpf n PHE 86 N -4.35 0.00 -0.46 0.28 7.35 -0.09 -4.93 117.46 115.25 1tpf n PHE 86 Ca 0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 1tpf n PHE 86 Cb 0.28 -0.09 0.00 0.00 0.35 0.00 0.00 39.48 40.02 1tpf n PHE 86 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1tpf n GLY 87 N 1.20 0.73 3.67 7.13 0.00 -0.12 -5.06 105.19 112.74 1tpf n GLY 87 Ca 0.17 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 1tpf n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tpf s VAL 88 N -2.00 5.30 -0.36 1.61 1.01 -0.90 -4.95 120.40 120.11 1tpf s VAL 88 Ca 0.00 0.38 0.04 0.00 0.00 0.00 0.00 61.98 62.40 1tpf s VAL 88 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1tpf s VAL 88 CO 0.00 0.31 0.43 0.59 0.00 0.00 0.00 175.10 176.43 1tpf n ASN 89 N 4.32 0.85 -4.37 3.32 4.13 -1.26 -4.14 115.26 118.11 1tpf n ASN 89 Ca -0.12 -0.93 -0.28 0.00 1.68 0.00 0.00 54.58 54.92 1tpf n ASN 89 Cb 0.52 0.41 -0.13 0.00 -1.54 0.00 0.00 39.78 39.03 1tpf n ASN 89 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1tpf s TRP 90 N -0.74 2.23 -0.13 3.10 0.52 -1.25 -0.51 118.94 122.16 1tpf s TRP 90 Ca 0.03 -0.39 -0.20 0.00 0.02 0.00 0.00 56.10 55.56 1tpf s TRP 90 Cb 0.03 -1.23 0.05 0.00 -1.15 0.00 0.00 33.47 31.17 1tpf s TRP 90 CO 0.09 0.29 0.52 -1.50 0.02 0.00 0.00 176.95 176.36 1tpf s ILE 91 N -1.03 0.01 -0.20 2.03 2.07 -0.90 -1.46 121.20 121.72 1tpf s ILE 91 Ca 0.13 -0.10 -0.12 0.00 -1.41 0.00 0.00 60.65 59.15 1tpf s ILE 91 Cb -0.10 -0.77 -0.05 0.00 0.13 0.00 0.00 42.46 41.67 1tpf s ILE 91 CO 0.05 -0.05 0.22 -0.69 -1.91 0.00 0.00 174.94 172.56 1tpf s VAL 92 N -0.36 5.34 0.04 4.00 1.01 -0.15 -0.91 120.40 129.36 1tpf s VAL 92 Ca -0.05 0.35 0.04 0.00 0.00 0.00 0.00 61.98 62.33 1tpf s VAL 92 Cb -0.03 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 1tpf s VAL 92 CO 0.03 0.37 -0.13 -0.76 0.00 0.00 0.00 175.10 174.61 1tpf s LEU 93 N 0.76 2.18 -0.58 3.92 1.43 -0.08 -3.33 118.68 122.97 1tpf s LEU 93 Ca 0.12 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1tpf s LEU 93 Cb -0.13 -0.53 0.00 0.00 0.03 0.00 0.00 46.19 45.57 1tpf s LEU 93 CO 0.03 0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.22 1tpf n GLY 94 N 1.88 0.45 3.70 -3.19 0.00 -1.26 -1.44 105.19 105.33 1tpf n GLY 94 Ca -0.18 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 1tpf n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1tpf n HIS 95 N -3.47 2.11 -0.32 1.61 -0.00 -1.26 -4.43 115.22 109.46 1tpf n HIS 95 Ca -0.07 0.49 0.25 0.00 0.46 0.00 0.00 57.72 58.86 1tpf n HIS 95 Cb 0.40 -2.37 0.56 0.00 -0.12 0.00 0.00 29.99 28.46 1tpf n HIS 95 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1tpf h SER 96 N 1.99 0.35 -0.22 0.26 4.64 -1.94 0.99 113.55 119.62 1tpf h SER 96 Ca -0.48 0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 60.82 1tpf h SER 96 Cb 1.30 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.38 1tpf h SER 96 CO 0.59 0.06 -0.13 -0.33 -0.87 0.00 0.00 176.83 176.16 1tpf h GLU 97 N 0.30 0.61 -0.11 4.77 5.08 -1.99 -0.72 114.58 122.53 1tpf h GLU 97 Ca 0.59 -0.19 -0.22 0.00 -1.00 0.00 0.00 59.36 58.54 1tpf h GLU 97 Cb 1.67 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.87 1tpf h GLU 97 CO -0.24 0.72 -0.82 0.00 -1.00 0.00 0.00 179.01 177.68 1tpf h ARG 98 N 0.56 0.69 -0.48 2.33 3.08 -1.18 -0.28 114.38 119.10 1tpf h ARG 98 Ca 0.10 -0.59 -0.07 0.00 0.07 0.00 0.00 59.98 59.49 1tpf h ARG 98 Cb 0.55 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1tpf h ARG 98 CO 0.03 1.20 0.03 0.00 -1.07 0.00 0.00 179.97 180.16 1tpf h ARG 99 N 0.45 0.78 0.15 0.04 3.08 -1.15 -0.13 114.38 117.61 1tpf h ARG 99 Ca -0.06 -0.20 -0.28 0.00 0.07 0.00 0.00 59.98 59.51 1tpf h ARG 99 Cb 1.44 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 31.40 1tpf h ARG 99 CO 0.16 0.77 -1.38 0.00 -1.07 0.00 0.00 179.97 178.46 1tpf h ALA 100 N 1.29 0.08 0.00 0.04 0.00 -1.09 -3.35 119.26 116.23 1tpf h ALA 100 Ca 0.15 -0.99 -0.20 0.00 0.00 0.00 0.00 54.91 53.87 1tpf h ALA 100 Cb 0.41 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1tpf h ALA 100 CO 0.01 0.76 -2.09 0.66 0.00 0.00 0.00 179.25 178.59 1tpf n TYR 101 N -3.87 0.15 -1.29 0.00 4.01 -0.12 -4.62 117.16 111.42 1tpf n TYR 101 Ca -0.22 0.05 0.02 0.00 -0.16 0.00 0.00 57.90 57.59 1tpf n TYR 101 Cb 0.95 -0.82 0.21 0.00 -0.31 0.00 0.00 39.34 39.37 1tpf n TYR 101 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1tpf n TYR 102 N -2.58 0.85 -1.29 -0.72 4.01 -0.08 -4.98 117.16 112.37 1tpf n TYR 102 Ca -0.18 -1.32 -0.10 0.00 -0.16 0.00 0.00 57.90 56.14 1tpf n TYR 102 Cb 0.89 -0.39 -0.04 0.00 -0.31 0.00 0.00 39.34 39.48 1tpf n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1tpf n GLY 103 N -0.98 1.10 3.62 2.72 0.00 -1.20 -4.92 105.19 105.53 1tpf n GLY 103 Ca 0.27 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1tpf n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tpf s GLU 104 N -2.66 3.97 0.59 1.61 2.02 -1.13 -5.00 118.70 118.10 1tpf s GLU 104 Ca 0.00 0.77 0.01 0.00 0.02 0.00 0.00 54.97 55.77 1tpf s GLU 104 Cb 0.00 -3.75 0.06 0.00 0.10 0.00 0.00 34.13 30.53 1tpf s GLU 104 CO 0.00 -0.84 0.83 0.95 0.02 0.00 0.00 175.26 176.23 1tpf s THR 105 N 3.36 2.52 0.35 3.63 -4.23 -1.26 -4.35 115.64 115.67 1tpf s THR 105 Ca 0.39 -0.64 0.07 0.00 -1.18 0.00 0.00 61.69 60.33 1tpf s THR 105 Cb -0.13 -2.89 0.30 0.00 1.34 0.00 0.00 72.50 71.13 1tpf s THR 105 CO 0.15 0.00 1.92 0.78 -0.54 0.00 0.00 174.62 176.93 1tpf h ASN 106 N -0.09 0.68 0.03 3.99 2.35 -1.96 -0.94 115.58 119.64 1tpf h ASN 106 Ca -0.41 0.02 -0.19 0.00 -0.55 0.00 0.00 56.30 55.17 1tpf h ASN 106 Cb 1.29 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 39.53 1tpf h ASN 106 CO 0.50 0.41 -0.66 1.05 -1.65 0.00 0.00 177.43 177.07 1tpf h GLU 107 N 0.75 0.59 -0.32 0.81 9.09 -1.96 0.51 114.58 124.06 1tpf h GLU 107 Ca 0.37 -0.44 -0.12 0.00 0.05 0.00 0.00 59.36 59.22 1tpf h GLU 107 Cb 0.42 0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 27.59 1tpf h GLU 107 CO -0.14 1.06 -0.29 0.82 0.05 0.00 0.00 179.01 180.51 1tpf h ILE 108 N 0.43 1.29 -0.56 -1.06 2.04 -1.80 -1.16 117.51 116.70 1tpf h ILE 108 Ca -0.02 -1.45 0.03 0.00 1.00 0.00 0.00 64.86 64.42 1tpf h ILE 108 Cb 1.24 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 38.79 1tpf h ILE 108 CO 0.13 0.47 0.33 0.58 0.00 0.00 0.00 178.15 179.66 1tpf h VAL 109 N 0.52 1.05 -0.76 1.67 2.07 -1.10 0.04 116.25 119.74 1tpf h VAL 109 Ca 0.05 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.36 1tpf h VAL 109 Cb 0.86 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1tpf h VAL 109 CO 0.07 0.12 0.51 0.00 0.02 0.00 0.00 177.57 178.29 1tpf h ALA 110 N 1.25 1.46 -0.31 1.67 0.00 -0.69 -1.34 119.26 121.29 1tpf h ALA 110 Ca 0.23 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 1tpf h ALA 110 Cb 0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1tpf h ALA 110 CO -0.10 0.50 -0.49 -0.44 0.00 0.00 0.00 179.25 178.72 1tpf h ASP 111 N 1.03 0.94 -0.30 0.00 3.32 -0.08 -2.14 116.42 119.19 1tpf h ASP 111 Ca 0.28 -0.48 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 1tpf h ASP 111 Cb -0.11 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.16 1tpf h ASP 111 CO -0.06 1.26 0.14 0.11 -1.72 0.00 0.00 179.24 178.98 1tpf h LYS 112 N 0.68 0.43 -0.20 3.56 1.57 -0.60 -1.57 116.57 120.44 1tpf h LYS 112 Ca 0.03 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1tpf h LYS 112 Cb 1.08 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.28 1tpf h LYS 112 CO 0.11 0.41 -0.00 0.28 -0.57 0.00 0.00 179.45 179.67 1tpf h VAL 113 N 0.35 0.86 -0.79 0.50 2.07 -1.21 0.75 116.25 118.78 1tpf h VAL 113 Ca 0.10 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.62 1tpf h VAL 113 Cb 0.12 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 1tpf h VAL 113 CO -0.01 0.01 0.51 0.00 0.02 0.00 0.00 177.57 178.10 1tpf h ALA 114 N 1.17 1.01 -0.58 1.67 0.00 -1.31 0.65 119.26 121.88 1tpf h ALA 114 Ca 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1tpf h ALA 114 Cb 0.12 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1tpf h ALA 114 CO -0.16 0.36 0.23 0.00 0.00 0.00 0.00 179.25 179.68 1tpf h ALA 115 N 1.31 0.75 0.44 0.00 0.00 -0.73 -0.96 119.26 120.07 1tpf h ALA 115 Ca 0.30 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1tpf h ALA 115 Cb -0.06 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1tpf h ALA 115 CO -0.09 0.37 -0.21 0.00 0.00 0.00 0.00 179.25 179.32 1tpf h ALA 116 N 1.08 -0.59 -0.41 0.00 0.00 -0.14 -1.51 119.26 117.69 1tpf h ALA 116 Ca 0.19 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1tpf h ALA 116 Cb 0.21 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1tpf h ALA 116 CO -0.01 -0.82 0.08 0.28 0.00 0.00 0.00 179.25 178.77 1tpf h VAL 117 N -0.62 0.78 -0.42 0.00 2.07 -0.85 -0.18 116.25 117.04 1tpf h VAL 117 Ca -0.06 -0.07 0.12 0.00 0.82 0.00 0.00 66.70 67.50 1tpf h VAL 117 Cb 0.47 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1tpf h VAL 117 CO 0.10 0.04 0.30 0.00 0.02 0.00 0.00 177.57 178.03 1tpf h ALA 118 N 1.31 2.36 -0.20 1.67 0.00 -0.95 0.23 119.26 123.68 1tpf h ALA 118 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1tpf h ALA 118 Cb 0.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1tpf h ALA 118 CO -0.26 -0.47 0.00 0.43 0.00 0.00 0.00 179.25 178.94 1tpf n SER 119 N -4.42 1.77 0.00 0.00 7.64 -0.16 -4.92 113.62 113.52 1tpf n SER 119 Ca 0.07 -1.75 0.00 0.00 1.01 0.00 0.00 58.87 58.19 1tpf n SER 119 Cb 0.47 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 1tpf n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tpf n GLY 120 N 1.14 0.74 3.90 0.23 0.00 0.07 -5.06 105.19 106.21 1tpf n GLY 120 Ca 0.16 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 1tpf n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tpf s PHE 121 N -2.00 3.53 -0.22 1.61 0.40 -0.68 -4.97 117.98 115.64 1tpf s PHE 121 Ca 0.00 0.82 -0.15 0.00 -0.60 0.00 0.00 56.93 56.99 1tpf s PHE 121 Cb 0.00 -2.28 -0.04 0.00 0.51 0.00 0.00 43.02 41.21 1tpf s PHE 121 CO 0.00 -0.15 0.38 -1.64 0.70 0.00 0.00 175.22 174.51 1tpf s MET 122 N -4.35 4.13 -0.07 0.44 -1.94 0.33 -4.41 119.30 113.44 1tpf s MET 122 Ca 0.47 0.15 0.03 0.00 -1.71 0.00 0.00 55.69 54.63 1tpf s MET 122 Cb -0.10 -3.57 -0.02 0.00 2.01 0.00 0.00 34.83 33.15 1tpf s MET 122 CO 0.39 -0.10 -0.17 0.08 -0.01 0.00 0.00 175.02 175.21 1tpf s VAL 123 N 1.50 2.75 -0.67 -6.03 1.01 0.63 -2.12 120.40 117.47 1tpf s VAL 123 Ca 0.18 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 61.21 1tpf s VAL 123 Cb -0.15 -2.08 0.17 0.00 0.00 0.00 0.00 36.38 34.33 1tpf s VAL 123 CO 0.08 0.57 0.60 -0.63 0.00 0.00 0.00 175.10 175.72 1tpf s ILE 124 N -0.26 5.17 -0.26 2.22 1.01 -0.09 -0.23 121.20 128.75 1tpf s ILE 124 Ca 0.01 -2.10 -0.20 0.00 0.00 0.00 0.00 60.65 58.35 1tpf s ILE 124 Cb -0.13 -4.26 -0.02 0.00 0.01 0.00 0.00 42.46 38.06 1tpf s ILE 124 CO 0.03 -0.93 0.64 0.00 0.00 0.00 0.00 174.94 174.67 1tpf s ALA 125 N 0.77 3.60 0.04 9.38 0.00 0.37 -0.91 121.76 135.03 1tpf s ALA 125 Ca 0.11 -0.45 -0.14 0.00 0.00 0.00 0.00 51.96 51.48 1tpf s ALA 125 Cb -0.20 -3.05 -0.06 0.00 0.00 0.00 0.00 23.12 19.81 1tpf s ALA 125 CO -0.03 -0.85 0.45 0.00 0.00 0.00 0.00 175.76 175.32 1tpf s ILE 127 N -1.19 0.16 0.00 0.00 -4.36 -0.33 -4.70 121.20 110.77 1tpf s ILE 127 Ca 0.28 -1.71 0.00 0.00 -0.26 0.00 0.00 60.65 58.96 1tpf s ILE 127 Cb -0.16 -1.68 0.00 0.00 1.25 0.00 0.00 42.46 41.87 1tpf s ILE 127 CO 0.16 -0.73 0.00 0.61 0.24 0.00 0.00 174.94 175.22 1tpf n GLY 128 N -0.00 3.25 3.76 6.27 0.00 -1.26 0.30 105.19 117.51 1tpf n GLY 128 Ca -0.11 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.10 1tpf n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1tpf s GLU 129 N -2.00 2.74 0.77 1.61 1.03 -1.25 -4.84 118.70 116.76 1tpf s GLU 129 Ca 0.00 -1.02 -0.05 0.00 0.03 0.00 0.00 54.97 53.93 1tpf s GLU 129 Cb 0.00 -2.52 0.14 0.00 -0.80 0.00 0.00 34.13 30.95 1tpf s GLU 129 CO 0.00 0.45 1.07 0.95 -1.33 0.00 0.00 175.26 176.39 1tpf s THR 130 N -1.90 2.13 0.15 1.83 -4.23 -1.26 -2.13 115.64 110.23 1tpf s THR 130 Ca 0.31 -0.43 -0.20 0.00 -1.18 0.00 0.00 61.69 60.19 1tpf s THR 130 Cb -0.09 -2.69 0.05 0.00 1.34 0.00 0.00 72.50 71.11 1tpf s THR 130 CO 0.22 0.00 1.65 0.25 -0.54 0.00 0.00 174.62 176.21 1tpf h LEU 131 N -0.78 -0.54 -0.52 4.79 6.46 -1.82 -0.09 115.31 122.82 1tpf h LEU 131 Ca -0.39 0.12 0.04 0.00 -0.12 0.00 0.00 57.88 57.54 1tpf h LEU 131 Cb 1.26 0.29 -0.04 0.00 -0.73 0.00 0.00 40.66 41.44 1tpf h LEU 131 CO 0.41 -0.20 0.27 -0.61 -0.62 0.00 0.00 178.44 177.69 1tpf h GLN 132 N -0.12 0.51 0.00 1.25 4.15 -1.96 0.13 115.11 119.06 1tpf h GLN 132 Ca 0.16 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.46 1tpf h GLN 132 Cb 0.36 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1tpf h GLN 132 CO -0.38 0.34 -0.43 0.93 -1.93 0.00 0.00 178.83 177.36 1tpf h GLU 133 N 0.52 0.00 0.02 1.69 5.08 -1.82 -2.56 114.58 117.51 1tpf h GLU 133 Ca 0.22 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1tpf h GLU 133 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1tpf h GLU 133 CO -0.15 0.43 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.19 1tpf h ARG 134 N 0.00 -0.02 0.00 2.33 9.65 -0.16 0.74 114.38 126.92 1tpf h ARG 134 Ca -0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1tpf h ARG 134 Cb 0.85 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.44 1tpf h ARG 134 CO 0.06 0.67 -0.03 0.93 2.80 0.00 0.00 179.97 184.39 1tpf h GLU 135 N -0.75 0.00 -0.64 0.20 5.08 -0.77 -1.03 114.58 116.67 1tpf h GLU 135 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1tpf h GLU 135 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1tpf h GLU 135 CO 0.00 0.03 0.00 -1.13 -1.00 0.00 0.00 179.01 176.92 1tpf n SER 136 N -3.83 4.12 -2.66 1.42 3.41 -0.97 -4.90 113.62 110.22 1tpf n SER 136 Ca -0.03 -2.45 -0.20 0.00 -0.26 0.00 0.00 58.87 55.94 1tpf n SER 136 Cb 0.12 -0.55 0.03 0.00 -0.26 0.00 0.00 64.21 63.55 1tpf n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tpf n GLY 137 N 0.87 -0.37 1.16 5.00 0.00 -0.39 -4.92 105.19 106.54 1tpf n GLY 137 Ca 0.21 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.36 1tpf n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tpf n ARG 138 N -3.62 2.54 -0.07 1.61 1.74 0.26 -4.70 116.66 114.42 1tpf n ARG 138 Ca -0.10 -2.35 -0.13 0.00 -0.77 0.00 0.00 57.85 54.50 1tpf n ARG 138 Cb 0.61 -1.51 -0.07 0.00 -1.02 0.00 0.00 32.46 30.47 1tpf n ARG 138 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1tpf h THR 139 N 4.21 0.07 -0.74 0.55 2.02 -1.82 -1.36 112.91 115.84 1tpf h THR 139 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 1tpf h THR 139 Cb 0.96 0.07 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 1tpf h THR 139 CO 0.00 0.00 0.43 0.00 0.37 0.00 0.00 175.52 176.32 1tpf h ALA 140 N 0.07 1.00 0.00 6.16 0.00 -1.94 -0.41 119.26 124.15 1tpf h ALA 140 Ca 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1tpf h ALA 140 Cb 0.63 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1tpf h ALA 140 CO -0.50 0.11 -0.00 0.28 0.00 0.00 0.00 179.25 179.14 1tpf h VAL 141 N 0.77 1.11 0.78 0.00 2.07 -1.81 -1.57 116.25 117.61 1tpf h VAL 141 Ca 0.33 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1tpf h VAL 141 Cb 0.20 1.35 0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1tpf h VAL 141 CO -0.19 0.09 -0.37 0.58 0.02 0.00 0.00 177.57 177.70 1tpf h VAL 142 N -0.15 0.08 -0.89 2.57 2.07 -1.05 -1.00 116.25 117.88 1tpf h VAL 142 Ca -0.00 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.37 1tpf h VAL 142 Cb 0.15 0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 29.96 1tpf h VAL 142 CO 0.00 0.01 0.57 -0.37 0.02 0.00 0.00 177.57 177.80 1tpf h VAL 143 N -1.23 1.11 -0.30 2.57 -1.51 -1.17 0.09 116.25 115.82 1tpf h VAL 143 Ca -0.11 -0.37 -0.10 0.00 -1.23 0.00 0.00 66.70 64.90 1tpf h VAL 143 Cb 0.82 -0.06 -0.01 0.00 -2.13 0.00 0.00 31.29 29.90 1tpf h VAL 143 CO 0.18 0.20 -0.22 -0.07 -1.23 0.00 0.00 177.57 176.43 1tpf h LEU 144 N 1.08 0.56 -0.45 4.19 3.38 -1.31 -0.74 115.31 122.01 1tpf h LEU 144 Ca 0.37 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 1tpf h LEU 144 Cb 0.07 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1tpf h LEU 144 CO -0.14 0.78 0.05 0.74 0.09 0.00 0.00 178.44 179.96 1tpf h THR 145 N 0.50 1.25 -0.15 0.22 2.02 -0.28 0.69 112.91 117.17 1tpf h THR 145 Ca 0.08 -0.94 0.03 0.00 0.77 0.00 0.00 66.41 66.34 1tpf h THR 145 Cb 0.65 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 1tpf h THR 145 CO 0.05 0.33 -0.04 1.56 0.37 0.00 0.00 175.52 177.78 1tpf h GLN 146 N 0.62 -0.01 -0.61 6.66 4.20 -0.61 -1.83 115.11 123.53 1tpf h GLN 146 Ca 0.13 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.78 1tpf h GLN 146 Cb 0.42 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 1tpf h GLN 146 CO 0.01 -0.01 0.11 0.97 -0.67 0.00 0.00 178.83 179.24 1tpf h ILE 147 N -0.01 1.26 -0.95 2.54 6.09 -1.02 -2.97 117.51 122.45 1tpf h ILE 147 Ca 0.07 -0.98 0.05 0.00 -1.37 0.00 0.00 64.86 62.63 1tpf h ILE 147 Cb 0.12 0.72 -0.06 0.00 0.47 0.00 0.00 36.82 38.07 1tpf h ILE 147 CO -0.16 0.36 0.62 0.00 -3.07 0.00 0.00 178.15 175.90 1tpf h ALA 148 N 1.02 1.44 -0.09 0.18 0.00 -0.57 0.03 119.26 121.27 1tpf h ALA 148 Ca 0.19 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1tpf h ALA 148 Cb 0.41 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1tpf h ALA 148 CO 0.01 0.44 -0.11 0.00 0.00 0.00 0.00 179.25 179.59 1tpf h ALA 149 N 1.47 -0.05 0.44 0.00 0.00 -1.18 0.18 119.26 120.12 1tpf h ALA 149 Ca 0.40 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 1tpf h ALA 149 Cb 0.11 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1tpf h ALA 149 CO -0.14 -0.58 -0.21 0.82 0.00 0.00 0.00 179.25 179.14 1tpf h ILE 150 N -0.15 0.57 -0.97 0.00 2.04 -1.38 -2.98 117.51 114.65 1tpf h ILE 150 Ca 0.07 -0.01 0.18 0.00 1.00 0.00 0.00 64.86 66.10 1tpf h ILE 150 Cb 0.25 0.58 -0.09 0.00 -0.74 0.00 0.00 36.82 36.82 1tpf h ILE 150 CO -0.18 0.00 0.61 0.00 0.00 0.00 0.00 178.15 178.58 1tpf h ALA 151 N -0.02 1.81 -0.68 1.87 0.00 -0.62 -0.85 119.26 120.76 1tpf h ALA 151 Ca -0.06 0.05 0.20 0.00 0.00 0.00 0.00 54.91 55.09 1tpf h ALA 151 Cb 0.45 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1tpf h ALA 151 CO 0.10 -0.13 0.57 -0.22 0.00 0.00 0.00 179.25 179.57 1tpf h LYS 152 N 0.70 0.00 -0.00 0.00 3.64 -0.48 -1.80 116.57 118.63 1tpf h LYS 152 Ca 0.53 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.91 1tpf h LYS 152 Cb 0.89 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1tpf h LYS 152 CO -0.29 0.00 -0.75 1.63 -2.27 0.00 0.00 179.45 177.77 1tpf n LYS 153 N -4.02 0.40 -4.02 1.90 4.76 -0.33 -4.99 118.16 111.86 1tpf n LYS 153 Ca 0.14 -0.32 -0.22 0.00 -2.87 0.00 0.00 58.31 55.04 1tpf n LYS 153 Cb 0.82 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 32.48 1tpf n LYS 153 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1tpf s LEU 154 N -2.82 3.81 0.24 -0.35 1.43 -0.68 -4.95 118.68 115.37 1tpf s LEU 154 Ca 0.12 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1tpf s LEU 154 Cb 0.17 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1tpf s LEU 154 CO 0.75 -0.12 0.41 -0.54 0.23 0.00 0.00 176.35 177.08 1tpf s LYS 155 N -3.89 3.49 0.27 1.70 1.02 -1.26 -4.97 119.74 116.09 1tpf s LYS 155 Ca 0.35 -0.46 -0.00 0.00 0.02 0.00 0.00 55.97 55.88 1tpf s LYS 155 Cb -0.08 -2.82 0.61 0.00 -0.52 0.00 0.00 37.83 35.03 1tpf s LYS 155 CO 0.26 0.36 1.68 -0.22 -0.92 0.00 0.00 175.35 176.51 1tpf h LYS 156 N 1.50 0.31 0.00 1.68 3.64 -1.97 0.36 116.57 122.09 1tpf h LYS 156 Ca -0.49 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1tpf h LYS 156 Cb 1.21 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1tpf h LYS 156 CO 0.65 0.20 -0.01 0.00 -2.27 0.00 0.00 179.45 178.02 1tpf h ALA 157 N 1.68 1.01 -0.10 5.00 0.00 -2.02 -2.32 119.26 122.51 1tpf h ALA 157 Ca 0.50 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.32 1tpf h ALA 157 Cb 0.91 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1tpf h ALA 157 CO -0.54 0.01 -0.31 -0.44 0.00 0.00 0.00 179.25 177.97 1tpf h ASP 158 N 0.00 0.19 -0.54 0.00 3.32 -0.65 -2.95 116.42 115.80 1tpf h ASP 158 Ca -0.00 -0.06 0.16 0.00 0.02 0.00 0.00 57.03 57.14 1tpf h ASP 158 Cb 0.31 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1tpf h ASP 158 CO 0.00 0.50 0.60 -0.50 -1.72 0.00 0.00 179.24 178.11 1tpf h TRP 159 N 0.17 0.00 0.00 4.55 4.06 -1.46 0.20 115.95 123.48 1tpf h TRP 159 Ca 0.02 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.97 1tpf h TRP 159 Cb 0.63 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.79 1tpf h TRP 159 CO 0.01 0.00 -0.02 0.00 -3.56 0.00 0.00 178.44 174.87 1tpf h ALA 160 N 1.32 1.29 -0.48 1.49 0.00 -1.73 -1.57 119.26 119.58 1tpf h ALA 160 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1tpf h ALA 160 Cb 1.44 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1tpf h ALA 160 CO -0.00 0.02 0.00 1.63 0.00 0.00 0.00 179.25 180.90 1tpf n LYS 161 N -3.52 2.53 -4.43 0.00 4.76 0.71 -4.96 118.16 113.25 1tpf n LYS 161 Ca -0.03 -2.34 -0.35 0.00 -2.87 0.00 0.00 58.31 52.73 1tpf n LYS 161 Cb 0.11 -1.49 -0.10 0.00 -1.84 0.00 0.00 35.03 31.71 1tpf n LYS 161 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1tpf s VAL 162 N -1.25 4.17 -0.08 -0.18 1.01 -0.59 -0.27 120.40 123.21 1tpf s VAL 162 Ca 0.39 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.08 1tpf s VAL 162 Cb 0.22 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.86 1tpf s VAL 162 CO 0.30 0.59 -0.14 -0.69 0.00 0.00 0.00 175.10 175.16 1tpf s VAL 163 N -0.88 1.32 -0.19 2.92 1.01 0.68 -4.58 120.40 120.69 1tpf s VAL 163 Ca 0.13 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 1tpf s VAL 163 Cb -0.11 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 1tpf s VAL 163 CO 0.03 0.40 0.14 -0.63 0.00 0.00 0.00 175.10 175.04 1tpf s ILE 164 N 0.72 5.41 -0.19 2.22 -1.09 -0.61 -0.47 121.20 127.20 1tpf s ILE 164 Ca -0.13 0.21 -0.02 0.00 -2.23 0.00 0.00 60.65 58.48 1tpf s ILE 164 Cb -0.16 -3.47 -0.01 0.00 -1.58 0.00 0.00 42.46 37.24 1tpf s ILE 164 CO 0.03 0.46 -0.08 0.00 -1.23 0.00 0.00 174.94 174.12 1tpf s ALA 165 N 0.21 2.73 -0.35 9.38 0.00 0.35 0.12 121.76 134.21 1tpf s ALA 165 Ca 0.09 -1.07 -0.17 0.00 0.00 0.00 0.00 51.96 50.81 1tpf s ALA 165 Cb -0.11 -1.51 -0.01 0.00 0.00 0.00 0.00 23.12 21.49 1tpf s ALA 165 CO -0.01 -0.19 0.45 -0.47 0.00 0.00 0.00 175.76 175.54 1tpf s TYR 166 N 1.07 3.19 -0.25 0.00 5.04 0.18 -1.19 117.35 125.40 1tpf s TYR 166 Ca 0.00 0.08 -0.06 0.00 -2.44 0.00 0.00 57.07 54.66 1tpf s TYR 166 Cb -0.15 -2.82 -0.02 0.00 0.35 0.00 0.00 41.96 39.33 1tpf s TYR 166 CO -0.01 -0.50 0.04 -1.21 -1.34 0.00 0.00 175.55 172.53 1tpf s GLU 167 N 2.23 3.47 -1.38 4.97 2.02 0.15 0.57 118.70 130.73 1tpf s GLU 167 Ca 0.16 -0.59 -0.16 0.00 0.02 0.00 0.00 54.97 54.40 1tpf s GLU 167 Cb -0.16 -3.25 0.06 0.00 0.10 0.00 0.00 34.13 30.88 1tpf s GLU 167 CO 0.13 -0.24 1.98 -0.35 0.02 0.00 0.00 175.26 176.79 1tpf n PRO 168 N 4.88 3.04 -0.04 0.39 -0.04 -1.26 -3.86 135.00 138.10 1tpf n PRO 168 Ca -0.16 -2.96 0.20 0.00 -0.04 0.00 0.00 63.50 60.53 1tpf n PRO 168 Cb 0.51 -3.38 0.65 0.00 -0.04 0.00 0.00 33.50 31.24 1tpf n PRO 168 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1tpf h VAL 169 N 4.75 0.74 0.00 0.52 2.07 -1.86 0.25 116.25 122.71 1tpf h VAL 169 Ca 0.51 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.99 1tpf h VAL 169 Cb 0.75 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1tpf h VAL 169 CO 1.67 0.02 -0.03 4.11 0.02 0.00 0.00 177.57 183.36 1tpf h TRP 170 N 0.09 0.00 -0.43 1.57 5.08 -1.66 -1.66 115.95 118.94 1tpf h TRP 170 Ca 0.29 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.26 1tpf h TRP 170 Cb 1.01 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.17 1tpf h TRP 170 CO -0.00 0.03 0.00 0.00 -1.28 0.00 0.00 178.44 177.19 1tpf n ALA 171 N -2.16 2.34 -2.98 0.11 0.00 0.86 -4.55 120.51 114.12 1tpf n ALA 171 Ca -0.02 -1.08 -0.41 0.00 0.00 0.00 0.00 53.44 51.93 1tpf n ALA 171 Cb 0.16 -0.69 -0.10 0.00 0.00 0.00 0.00 19.45 18.82 1tpf n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1tpf s ILE 172 N -1.14 4.58 -0.05 0.00 1.01 -0.62 -4.40 121.20 120.58 1tpf s ILE 172 Ca 0.34 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1tpf s ILE 172 Cb 0.19 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.98 1tpf s ILE 172 CO 0.25 -0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.41 1tpf n GLY 173 N 5.01 0.43 0.00 6.18 0.00 -1.26 -4.90 105.19 110.65 1tpf n GLY 173 Ca -0.11 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 45.91 1tpf n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tpf n THR 174 N -2.80 0.00 -0.09 2.61 -2.24 -1.26 -4.96 114.28 105.54 1tpf n THR 174 Ca -0.00 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1tpf n THR 174 Cb 0.11 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1tpf n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tpf n GLY 175 N 1.46 0.74 3.89 3.38 0.00 -1.26 -5.05 105.19 108.34 1tpf n GLY 175 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1tpf n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tpf s LYS 176 N -0.74 3.71 -0.07 1.61 3.01 -1.26 -5.09 119.74 120.91 1tpf s LYS 176 Ca 0.00 0.15 0.04 0.00 -1.01 0.00 0.00 55.97 55.15 1tpf s LYS 176 Cb 0.00 -2.64 -0.02 0.00 -1.01 0.00 0.00 37.83 34.17 1tpf s LYS 176 CO 0.00 0.25 -0.20 0.08 0.51 0.00 0.00 175.35 176.00 1tpf s VAL 177 N -1.97 2.54 0.11 3.17 1.01 -1.26 -4.73 120.40 119.27 1tpf s VAL 177 Ca 0.46 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 1tpf s VAL 177 Cb -0.11 -1.98 -0.06 0.00 0.00 0.00 0.00 36.38 34.23 1tpf s VAL 177 CO 0.26 0.57 0.43 0.00 0.00 0.00 0.00 175.10 176.36 1tpf s ALA 178 N -0.22 3.70 0.26 5.51 0.00 -1.26 -5.05 121.76 124.70 1tpf s ALA 178 Ca -0.01 -0.37 0.08 0.00 0.00 0.00 0.00 51.96 51.66 1tpf s ALA 178 Cb -0.13 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.66 1tpf s ALA 178 CO 0.03 0.56 0.16 0.95 0.00 0.00 0.00 175.76 177.47 1tpf s THR 179 N -1.50 4.26 0.48 0.00 -4.23 -1.26 -4.99 115.64 108.40 1tpf s THR 179 Ca 0.36 -1.50 0.18 0.00 -1.18 0.00 0.00 61.69 59.56 1tpf s THR 179 Cb -0.13 -3.30 0.34 0.00 1.34 0.00 0.00 72.50 70.74 1tpf s THR 179 CO 0.20 -0.35 2.02 -0.65 -0.54 0.00 0.00 174.62 175.30 1tpf h PRO 180 N 1.56 0.18 -0.45 3.99 0.11 -1.98 0.06 132.00 135.48 1tpf h PRO 180 Ca -0.48 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 1tpf h PRO 180 Cb 1.24 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1tpf h PRO 180 CO 0.61 0.12 -0.22 1.96 -0.21 0.00 0.00 178.00 180.26 1tpf h GLN 181 N 0.19 0.92 -0.50 1.05 7.50 -1.98 -0.64 115.11 121.65 1tpf h GLN 181 Ca 0.21 -0.38 -0.08 0.00 0.50 0.00 0.00 58.65 58.89 1tpf h GLN 181 Cb 0.57 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 28.05 1tpf h GLN 181 CO -0.03 1.04 -0.01 1.96 -1.50 0.00 0.00 178.83 180.29 1tpf h GLN 182 N 0.80 0.89 -0.12 1.46 4.20 -1.42 -0.52 115.11 120.39 1tpf h GLN 182 Ca 0.11 -0.29 0.01 0.00 0.06 0.00 0.00 58.65 58.54 1tpf h GLN 182 Cb 0.77 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1tpf h GLN 182 CO 0.06 0.93 0.04 0.00 -0.67 0.00 0.00 178.83 179.19 1tpf h ALA 183 N 0.93 0.13 -0.89 3.87 0.00 -1.07 -1.24 119.26 120.99 1tpf h ALA 183 Ca 0.14 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1tpf h ALA 183 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1tpf h ALA 183 CO 0.03 -0.41 0.57 0.37 0.00 0.00 0.00 179.25 179.81 1tpf h GLN 184 N 0.10 1.06 -0.46 0.00 5.75 -0.83 -0.20 115.11 120.54 1tpf h GLN 184 Ca 0.05 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1tpf h GLN 184 Cb 0.03 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.31 1tpf h GLN 184 CO -0.05 0.70 0.29 1.49 -2.65 0.00 0.00 178.83 178.61 1tpf h GLU 185 N 1.10 0.57 -0.31 1.69 4.81 -0.68 0.10 114.58 121.86 1tpf h GLU 185 Ca 0.36 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.50 1tpf h GLU 185 Cb 0.05 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1tpf h GLU 185 CO -0.13 0.38 -0.02 0.00 -0.73 0.00 0.00 179.01 178.50 1tpf h ALA 186 N 1.18 0.42 -0.93 2.92 0.00 -0.76 -2.23 119.26 119.86 1tpf h ALA 186 Ca 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1tpf h ALA 186 Cb -0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1tpf h ALA 186 CO -0.05 0.20 0.55 0.45 0.00 0.00 0.00 179.25 180.39 1tpf h HIS 187 N 0.35 1.25 -0.73 0.00 3.86 -0.66 -2.27 115.15 116.94 1tpf h HIS 187 Ca 0.08 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.23 1tpf h HIS 187 Cb 0.48 -0.41 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 1tpf h HIS 187 CO 0.04 0.84 0.23 0.00 0.86 0.00 0.00 177.93 179.90 1tpf h ALA 188 N 1.31 1.04 -0.89 2.45 0.00 -0.68 -0.98 119.26 121.50 1tpf h ALA 188 Ca 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1tpf h ALA 188 Cb -0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 1tpf h ALA 188 CO -0.06 0.65 0.53 1.25 0.00 0.00 0.00 179.25 181.62 1tpf h LEU 189 N 1.08 1.08 -0.13 0.00 5.85 -1.16 0.76 115.31 122.79 1tpf h LEU 189 Ca 0.24 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1tpf h LEU 189 Cb 0.29 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 1tpf h LEU 189 CO -0.01 0.84 0.01 0.40 -0.34 0.00 0.00 178.44 179.34 1tpf h ILE 190 N 1.24 1.24 -0.39 4.05 2.04 -0.96 -2.70 117.51 122.02 1tpf h ILE 190 Ca 0.32 -0.76 -0.07 0.00 1.00 0.00 0.00 64.86 65.35 1tpf h ILE 190 Cb -0.03 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1tpf h ILE 190 CO -0.06 0.22 -0.05 -0.09 0.00 0.00 0.00 178.15 178.18 1tpf h ARG 191 N -0.02 0.65 -0.55 2.37 2.43 -0.88 -2.23 114.38 116.16 1tpf h ARG 191 Ca 0.04 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 1tpf h ARG 191 Cb 0.33 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 1tpf h ARG 191 CO 0.00 0.70 0.29 0.77 -1.51 0.00 0.00 179.97 180.23 1tpf h SER 192 N 0.61 0.69 -0.06 -3.80 0.02 -0.82 -0.30 113.55 109.89 1tpf h SER 192 Ca 0.12 -0.10 0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1tpf h SER 192 Cb 0.45 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1tpf h SER 192 CO 0.02 0.59 -0.04 -0.25 -1.14 0.00 0.00 176.83 176.02 1tpf h TRP 193 N 0.73 -0.09 -0.82 3.45 7.01 -1.18 -0.56 115.95 124.49 1tpf h TRP 193 Ca 0.19 0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.26 1tpf h TRP 193 Cb 0.07 0.05 -0.06 0.00 -2.10 0.00 0.00 29.16 27.11 1tpf h TRP 193 CO -0.01 -0.06 0.49 0.28 -2.79 0.00 0.00 178.44 176.35 1tpf h VAL 194 N -0.04 1.01 -0.53 2.65 2.07 -1.05 0.25 116.25 120.62 1tpf h VAL 194 Ca 0.04 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1tpf h VAL 194 Cb 0.10 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 1tpf h VAL 194 CO -0.09 0.16 0.27 -1.28 0.02 0.00 0.00 177.57 176.65 1tpf h SER 195 N 0.89 0.67 0.17 0.57 0.87 -0.50 0.28 113.55 116.52 1tpf h SER 195 Ca 0.36 -0.11 -0.24 0.00 -1.23 0.00 0.00 61.79 60.57 1tpf h SER 195 Cb 0.20 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1tpf h SER 195 CO -0.18 0.59 -0.99 0.77 -0.53 0.00 0.00 176.83 176.50 1tpf h SER 196 N 0.70 0.72 0.54 6.23 4.64 -0.49 -2.85 113.55 123.04 1tpf h SER 196 Ca 0.18 -0.57 -0.25 0.00 -0.47 0.00 0.00 61.79 60.69 1tpf h SER 196 Cb 0.09 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 61.91 1tpf h SER 196 CO -0.03 1.37 -1.64 0.29 -0.87 0.00 0.00 176.83 175.96 1tpf n LYS 197 N -3.80 0.63 -0.04 4.77 4.01 0.83 -4.70 118.16 119.86 1tpf n LYS 197 Ca -0.09 0.25 -0.08 0.00 -0.51 0.00 0.00 58.31 57.88 1tpf n LYS 197 Cb 0.86 -1.78 -0.04 0.00 -0.51 0.00 0.00 35.03 33.56 1tpf n LYS 197 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1tpf n ILE 198 N -2.96 0.49 0.00 -0.18 2.08 0.89 -5.06 119.36 114.63 1tpf n ILE 198 Ca -0.15 -0.16 0.00 0.00 0.56 0.00 0.00 62.75 63.00 1tpf n ILE 198 Cb 0.97 -1.22 0.00 0.00 -0.75 0.00 0.00 39.64 38.65 1tpf n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1tpf n GLY 199 N 2.76 3.80 0.15 7.39 0.00 -0.54 -4.90 105.19 113.85 1tpf n GLY 199 Ca -0.16 -0.82 0.01 0.00 0.00 0.00 0.00 46.02 45.04 1tpf n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tpf h ALA 200 N 0.00 0.88 -0.36 4.61 0.00 -1.83 -1.19 119.26 121.37 1tpf h ALA 200 Ca 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 1tpf h ALA 200 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1tpf h ALA 200 CO 0.00 0.71 0.02 0.38 0.00 0.00 0.00 179.25 180.36 1tpf h ASP 201 N 0.00 0.60 0.12 0.00 3.04 -1.93 0.17 116.42 118.42 1tpf h ASP 201 Ca -0.01 -0.29 -0.01 0.00 -3.24 0.00 0.00 57.03 53.49 1tpf h ASP 201 Cb 1.13 -0.16 0.00 0.00 -1.04 0.00 0.00 39.33 39.26 1tpf h ASP 201 CO 0.07 0.75 -0.06 0.58 -2.04 0.00 0.00 179.24 178.55 1tpf h VAL 202 N 0.44 0.95 -0.88 4.15 2.07 -1.88 -2.70 116.25 118.40 1tpf h VAL 202 Ca 0.10 -0.26 0.09 0.00 0.82 0.00 0.00 66.70 67.45 1tpf h VAL 202 Cb 0.43 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 1tpf h VAL 202 CO 0.01 0.06 0.57 0.00 0.02 0.00 0.00 177.57 178.24 1tpf h ALA 203 N 0.59 1.61 0.00 1.67 0.00 -1.07 -0.83 119.26 121.23 1tpf h ALA 203 Ca -0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1tpf h ALA 203 Cb 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1tpf h ALA 203 CO 0.03 0.23 -0.24 0.78 0.00 0.00 0.00 179.25 180.04 1tpf h GLY 204 N 0.91 0.00 0.42 0.00 0.00 -0.40 -3.11 103.07 100.89 1tpf h GLY 204 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1tpf h GLY 204 CO -0.16 0.00 -1.37 1.18 0.00 0.00 0.00 176.54 176.19 1tpf n GLU 205 N -3.50 0.47 -1.95 4.80 -0.58 -0.64 -4.63 120.64 114.60 1tpf n GLU 205 Ca -0.00 -0.05 -0.42 0.00 -0.42 0.00 0.00 57.16 56.27 1tpf n GLU 205 Cb 0.41 -1.61 -0.03 0.00 -0.57 0.00 0.00 31.44 29.64 1tpf n GLU 205 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1tpf s LEU 206 N -4.37 4.37 -0.15 -4.62 2.96 -0.41 -4.86 118.68 111.60 1tpf s LEU 206 Ca -0.01 2.63 -0.16 0.00 -0.22 0.00 0.00 54.13 56.38 1tpf s LEU 206 Cb 0.13 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.18 1tpf s LEU 206 CO 0.84 -0.80 0.38 -0.13 -1.32 0.00 0.00 176.35 175.33 1tpf s ARG 207 N 0.72 4.28 -0.21 1.98 3.00 -1.26 -4.93 118.95 122.53 1tpf s ARG 207 Ca 0.67 0.26 0.01 0.00 0.00 0.00 0.00 55.73 56.67 1tpf s ARG 207 Cb -0.43 -3.45 0.04 0.00 0.00 0.00 0.00 34.95 31.11 1tpf s ARG 207 CO 0.35 0.16 -0.13 0.42 0.00 0.00 0.00 175.30 176.10 1tpf s ILE 208 N 0.65 1.87 0.04 1.52 1.01 -1.26 -1.57 121.20 123.47 1tpf s ILE 208 Ca 0.21 -1.15 -0.03 0.00 0.00 0.00 0.00 60.65 59.68 1tpf s ILE 208 Cb -0.14 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 1tpf s ILE 208 CO 0.07 0.21 0.24 -0.76 0.00 0.00 0.00 174.94 174.70 1tpf s LEU 209 N 1.30 4.35 -0.21 2.97 1.43 0.12 -0.22 118.68 128.42 1tpf s LEU 209 Ca -0.02 0.40 -0.21 0.00 -1.03 0.00 0.00 54.13 53.27 1tpf s LEU 209 Cb -0.16 -2.86 -0.02 0.00 0.03 0.00 0.00 46.19 43.17 1tpf s LEU 209 CO -0.08 0.19 0.67 -0.47 0.23 0.00 0.00 176.35 176.89 1tpf s TYR 210 N -1.44 3.35 -0.28 0.29 5.04 -0.67 0.51 117.35 124.15 1tpf s TYR 210 Ca 0.32 0.95 0.10 0.00 -2.44 0.00 0.00 57.07 56.01 1tpf s TYR 210 Cb -0.13 -2.85 0.54 0.00 0.35 0.00 0.00 41.96 39.87 1tpf s TYR 210 CO 0.22 -0.24 1.53 0.41 -1.34 0.00 0.00 175.55 176.13 1tpf n GLY 211 N 3.84 4.58 0.00 8.97 0.00 0.19 -1.92 105.19 120.86 1tpf n GLY 211 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1tpf n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tpf n GLY 212 N -0.93 0.68 3.58 -0.02 0.00 -1.26 -4.61 105.19 102.62 1tpf n GLY 212 Ca 0.34 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 1tpf n GLY 212 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tpf s SER 213 N -1.00 6.12 -0.08 1.61 0.15 -1.26 -4.73 113.70 114.51 1tpf s SER 213 Ca 0.00 0.32 0.04 0.00 0.70 0.00 0.00 55.95 57.01 1tpf s SER 213 Cb 0.00 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.75 1tpf s SER 213 CO 0.00 -1.71 -0.20 -0.69 1.20 0.00 0.00 173.24 171.84 1tpf s VAL 214 N 6.09 2.50 0.36 4.45 1.01 -1.26 -5.03 120.40 128.52 1tpf s VAL 214 Ca 0.53 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.68 1tpf s VAL 214 Cb -0.11 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1tpf s VAL 214 CO 0.25 0.56 0.25 0.54 0.00 0.00 0.00 175.10 176.71 1tpf s ASN 215 N -0.13 2.04 0.44 3.32 2.20 -1.26 -4.52 114.94 117.02 1tpf s ASN 215 Ca -0.03 -1.77 0.10 0.00 -0.94 0.00 0.00 52.86 50.22 1tpf s ASN 215 Cb -0.14 0.58 0.98 0.00 -2.00 0.00 0.00 41.25 40.67 1tpf s ASN 215 CO 0.04 -1.06 2.08 1.23 -2.94 0.00 0.00 177.10 176.45 1tpf h GLY 216 N 2.02 0.37 0.73 0.45 0.00 -1.94 -2.04 103.07 102.66 1tpf h GLY 216 Ca -0.26 -0.15 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 1tpf h GLY 216 CO 0.40 0.14 -0.33 0.50 0.00 0.00 0.00 176.54 177.25 1tpf h LYS 217 N 0.36 0.38 -0.02 4.80 1.57 -1.96 -3.36 116.57 118.34 1tpf h LYS 217 Ca 0.10 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1tpf h LYS 217 Cb -0.01 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1tpf h LYS 217 CO -0.02 0.92 -0.32 0.27 -0.57 0.00 0.00 179.45 179.74 1tpf n ASN 218 N -4.40 1.93 -0.18 0.86 0.23 -1.19 -4.58 115.26 107.94 1tpf n ASN 218 Ca -0.08 -1.46 -0.07 0.00 -0.53 0.00 0.00 54.58 52.45 1tpf n ASN 218 Cb 0.50 0.29 0.03 0.00 -2.08 0.00 0.00 39.78 38.52 1tpf n ASN 218 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1tpf h ALA 219 N 4.01 0.67 -0.48 -2.53 0.00 -1.51 -2.24 119.26 117.18 1tpf h ALA 219 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1tpf h ALA 219 Cb 0.72 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1tpf h ALA 219 CO 0.00 0.10 0.14 -0.09 0.00 0.00 0.00 179.25 179.40 1tpf h ARG 220 N 0.70 0.75 -0.68 0.00 9.65 -1.81 0.11 114.38 123.10 1tpf h ARG 220 Ca 0.20 -0.17 0.09 0.00 -1.10 0.00 0.00 59.98 58.99 1tpf h ARG 220 Cb -0.07 -0.11 -0.07 0.00 -1.39 0.00 0.00 29.97 28.34 1tpf h ARG 220 CO -0.05 0.72 0.34 1.15 2.80 0.00 0.00 179.97 184.92 1tpf h THR 221 N 0.64 0.86 -0.25 0.20 2.02 -1.84 -1.30 112.91 113.25 1tpf h THR 221 Ca 0.15 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 1tpf h THR 221 Cb 0.29 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1tpf h THR 221 CO -0.00 0.11 0.00 -0.07 0.37 0.00 0.00 175.52 175.93 1tpf h LEU 222 N 0.59 0.42 -1.87 2.58 3.38 -0.81 -2.99 115.31 116.62 1tpf h LEU 222 Ca 0.33 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1tpf h LEU 222 Cb 0.33 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1tpf h LEU 222 CO -0.25 0.63 -0.13 0.22 0.09 0.00 0.00 178.44 178.99 1tpf h TYR 223 N 0.21 0.00 -0.59 1.13 3.20 -0.21 -2.95 116.97 117.76 1tpf h TYR 223 Ca 0.07 0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.05 1tpf h TYR 223 Cb 0.41 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 1tpf h TYR 223 CO 0.03 0.13 0.40 1.96 -1.64 0.00 0.00 178.16 179.05 1tpf h GLN 224 N 0.00 0.32 -6.85 1.82 4.20 -1.10 -3.43 115.11 110.07 1tpf h GLN 224 Ca -0.00 -0.02 -0.55 0.00 0.06 0.00 0.00 58.65 58.14 1tpf h GLN 224 Cb 0.32 -0.07 0.11 0.00 0.30 0.00 0.00 27.48 28.13 1tpf h GLN 224 CO 0.02 0.21 0.68 1.04 -0.67 0.00 0.00 178.83 180.11 1tpf n GLN 225 N -4.46 2.46 -0.06 1.46 1.13 -1.12 -4.88 117.38 111.92 1tpf n GLN 225 Ca 0.10 0.87 0.22 0.00 -1.94 0.00 0.00 57.00 56.24 1tpf n GLN 225 Cb 0.42 -2.54 0.68 0.00 0.11 0.00 0.00 30.24 28.91 1tpf n GLN 225 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1tpf h ARG 226 N 2.95 0.03 -0.39 -1.09 9.65 -1.92 -2.81 114.38 120.80 1tpf h ARG 226 Ca -0.49 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 1tpf h ARG 226 Cb 1.26 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.83 1tpf h ARG 226 CO 0.65 0.02 0.00 -0.25 2.80 0.00 0.00 179.97 183.19 1tpf n ASP 227 N -4.36 3.11 -4.59 -3.80 8.00 -1.26 -4.91 116.55 108.74 1tpf n ASP 227 Ca 0.12 -1.92 -0.40 0.00 0.71 0.00 0.00 54.79 53.31 1tpf n ASP 227 Cb 0.69 -0.26 -0.09 0.00 -0.02 0.00 0.00 41.12 41.44 1tpf n ASP 227 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1tpf s VAL 228 N -1.08 5.16 -0.21 2.53 1.01 -1.06 -4.66 120.40 122.08 1tpf s VAL 228 Ca 0.30 0.43 0.15 0.00 0.00 0.00 0.00 61.98 62.86 1tpf s VAL 228 Cb 0.17 -3.75 0.59 0.00 0.00 0.00 0.00 36.38 33.39 1tpf s VAL 228 CO 0.22 0.06 1.50 0.59 0.00 0.00 0.00 175.10 177.48 1tpf n ASN 229 N 5.38 4.17 0.00 3.32 5.03 0.70 -4.84 115.26 129.02 1tpf n ASN 229 Ca -0.08 -3.07 0.00 0.00 0.87 0.00 0.00 54.58 52.30 1tpf n ASN 229 Cb 0.50 -0.59 0.00 0.00 -1.02 0.00 0.00 39.78 38.67 1tpf n ASN 229 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1tpf n GLY 230 N -0.35 0.61 3.09 7.41 0.00 -1.26 -1.86 105.19 112.84 1tpf n GLY 230 Ca 0.24 -1.74 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 1tpf n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tpf s PHE 231 N -2.72 0.22 -0.38 1.61 0.08 -0.41 -1.67 117.98 114.70 1tpf s PHE 231 Ca 0.00 -0.51 0.04 0.00 0.12 0.00 0.00 56.93 56.57 1tpf s PHE 231 Cb 0.00 -0.16 0.11 0.00 -0.57 0.00 0.00 43.02 42.39 1tpf s PHE 231 CO 0.00 -0.32 0.10 -1.17 -0.10 0.00 0.00 175.22 173.73 1tpf s LEU 232 N -1.98 4.68 -0.05 -0.37 2.96 -0.81 -0.52 118.68 122.60 1tpf s LEU 232 Ca -0.07 -2.35 -0.10 0.00 -0.22 0.00 0.00 54.13 51.38 1tpf s LEU 232 Cb -0.03 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 1tpf s LEU 232 CO -0.04 -0.35 0.27 -0.69 -1.32 0.00 0.00 176.35 174.23 1tpf s VAL 233 N 0.63 5.27 0.00 1.68 1.01 -0.34 -4.38 120.40 124.27 1tpf s VAL 233 Ca 0.12 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1tpf s VAL 233 Cb -0.21 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1tpf s VAL 233 CO -0.06 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1tpf n GLY 234 N 1.76 0.75 0.30 4.51 0.00 -1.26 -0.06 105.19 111.20 1tpf n GLY 234 Ca -0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.94 1tpf n GLY 234 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1tpf h GLY 235 N 0.00 0.98 2.00 -0.02 0.00 -1.92 -0.82 103.07 103.28 1tpf h GLY 235 Ca 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 1tpf h GLY 235 CO 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 176.54 176.16 1tpf h ALA 236 N 1.81 1.17 0.00 3.60 0.00 -1.90 -2.73 119.26 121.21 1tpf h ALA 236 Ca 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1tpf h ALA 236 Cb 0.89 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1tpf h ALA 236 CO -0.76 0.03 0.00 0.66 0.00 0.00 0.00 179.25 179.18 1tpf h SER 237 N 0.00 0.00 -0.53 0.00 4.64 -1.40 -1.76 113.55 114.51 1tpf h SER 237 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1tpf h SER 237 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1tpf h SER 237 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1tpf n LEU 238 N -2.36 4.50 -4.25 5.97 4.77 -1.03 -4.87 117.00 119.73 1tpf n LEU 238 Ca 0.01 -2.28 -0.14 0.00 -0.03 0.00 0.00 56.01 53.57 1tpf n LEU 238 Cb 0.19 -0.59 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 1tpf n LEU 238 CO 0.18 0.65 -0.38 -0.54 -1.33 0.00 0.00 177.39 175.97 1tpf s LYS 239 N -2.08 1.09 0.53 3.23 1.02 -0.66 -5.02 119.74 117.85 1tpf s LYS 239 Ca 0.45 -1.49 0.24 0.00 0.02 0.00 0.00 55.97 55.19 1tpf s LYS 239 Cb 0.31 -0.52 1.39 0.00 -0.52 0.00 0.00 37.83 38.49 1tpf s LYS 239 CO 0.18 0.01 2.03 -1.35 -0.92 0.00 0.00 175.35 175.30 1tpf h PRO 240 N 2.74 0.00 0.00 -1.68 0.11 -1.92 -0.84 132.00 130.41 1tpf h PRO 240 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1tpf h PRO 240 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1tpf h PRO 240 CO 0.64 0.00 0.31 1.49 -0.21 0.00 0.00 178.00 180.22 1tpf h GLU 241 N 0.00 0.00 -0.36 1.05 4.81 -1.96 0.34 114.58 118.46 1tpf h GLU 241 Ca 0.19 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1tpf h GLU 241 Cb 0.80 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 1tpf h GLU 241 CO -0.00 0.00 0.24 0.35 -0.73 0.00 0.00 179.01 178.87 1tpf h PHE 242 N 0.00 0.41 -0.86 0.92 3.57 -1.21 -1.45 116.94 118.32 1tpf h PHE 242 Ca 0.00 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1tpf h PHE 242 Cb 0.61 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 1tpf h PHE 242 CO 0.00 0.25 0.57 0.28 -2.23 0.00 0.00 178.31 177.18 1tpf h VAL 243 N 0.43 1.23 -0.59 1.41 2.07 -1.15 0.14 116.25 119.79 1tpf h VAL 243 Ca 0.14 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.25 1tpf h VAL 243 Cb 0.03 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.73 1tpf h VAL 243 CO -0.03 0.22 0.39 0.44 0.02 0.00 0.00 177.57 178.60 1tpf h ASP 244 N 1.17 0.66 -0.55 0.57 3.32 -1.46 -0.55 116.42 119.59 1tpf h ASP 244 Ca 0.32 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.38 1tpf h ASP 244 Cb -0.12 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.23 1tpf h ASP 244 CO -0.07 0.48 0.33 0.40 -1.72 0.00 0.00 179.24 178.66 1tpf h ILE 245 N 0.78 1.05 -0.96 0.35 2.04 -0.81 -1.20 117.51 118.77 1tpf h ILE 245 Ca 0.22 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1tpf h ILE 245 Cb -0.08 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 36.30 1tpf h ILE 245 CO -0.05 0.12 0.59 0.40 0.00 0.00 0.00 178.15 179.21 1tpf h ILE 246 N 0.64 1.26 0.00 -0.67 2.04 -0.36 -2.38 117.51 118.05 1tpf h ILE 246 Ca 0.22 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 1tpf h ILE 246 Cb 0.04 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.00 1tpf h ILE 246 CO -0.10 0.26 -0.16 0.11 0.00 0.00 0.00 178.15 178.26 1tpf h LYS 247 N 1.31 0.00 0.00 2.37 1.57 -0.44 -2.39 116.57 118.99 1tpf h LYS 247 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1tpf h LYS 247 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1tpf h LYS 247 CO -0.07 0.16 0.00 0.00 -0.57 0.00 0.00 179.45 178.97 1tpf n ALA 248 N -2.25 2.31 -0.34 3.86 0.00 -0.52 -2.98 120.51 120.59 1tpf n ALA 248 Ca -0.01 -0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.39 1tpf n ALA 248 Cb 0.31 -1.39 0.32 0.00 0.00 0.00 0.00 19.45 18.69 1tpf n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1tpf n THR 249 N -1.14 1.51 1.75 0.00 -2.24 -0.90 -4.60 114.28 108.67 1tpf n THR 249 Ca 0.15 -1.03 0.14 0.00 -2.27 0.00 0.00 64.05 61.04 1tpf n THR 249 Cb 0.13 0.15 0.83 0.00 -2.10 0.00 0.00 70.33 69.34 1tpf n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50