#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfl n GLY 2 N 0.00 1.55 0.25 0.00 0.00 -1.26 -4.73 105.19 101.00 1pfl n GLY 2 Ca 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 45.97 1pfl n GLY 2 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1pfl h TRP 3 N 0.00 0.48 0.00 1.61 -0.00 -2.00 -0.16 115.95 115.88 1pfl h TRP 3 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.92 1pfl h TRP 3 Cb 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 29.16 29.05 1pfl h TRP 3 CO 0.00 0.12 0.00 -0.91 -0.00 0.00 0.00 178.44 177.65 1pfl h ASN 4 N 0.46 0.00 0.26 -3.49 -0.26 -1.93 -1.45 115.58 109.18 1pfl h ASN 4 Ca 0.34 0.00 -0.29 0.00 -0.56 0.00 0.00 56.30 55.79 1pfl h ASN 4 Cb 0.43 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.72 1pfl h ASN 4 CO -0.32 0.00 -1.25 0.00 -1.06 0.00 0.00 177.43 174.80 1pfl h ALA 5 N 2.01 0.03 0.00 -0.83 0.00 -1.31 0.30 119.26 119.45 1pfl h ALA 5 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1pfl h ALA 5 Cb 0.15 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1pfl h ALA 5 CO 0.00 0.75 0.00 0.66 0.00 0.00 0.00 179.25 180.66 1pfl n TYR 6 N -3.73 0.26 -0.00 0.00 4.01 -0.64 -0.57 117.16 116.49 1pfl n TYR 6 Ca -0.12 0.09 -0.05 0.00 -0.16 0.00 0.00 57.90 57.66 1pfl n TYR 6 Cb 1.00 -0.64 -0.12 0.00 -0.31 0.00 0.00 39.34 39.27 1pfl n TYR 6 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1pfl n ILE 7 N -1.72 1.41 0.30 -0.72 2.08 -0.67 -3.35 119.36 116.69 1pfl n ILE 7 Ca 0.05 -0.75 0.18 0.00 0.56 0.00 0.00 62.75 62.79 1pfl n ILE 7 Cb 0.27 -0.88 0.89 0.00 -0.75 0.00 0.00 39.64 39.17 1pfl n ILE 7 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1pfl h ASP 8 N 0.00 0.00 -0.33 4.38 3.32 0.21 -1.99 116.42 122.01 1pfl h ASP 8 Ca -0.24 0.00 0.07 0.00 0.02 0.00 0.00 57.03 56.87 1pfl h ASP 8 Cb 1.83 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.32 1pfl h ASP 8 CO 0.06 0.00 -0.08 -1.13 -1.72 0.00 0.00 179.24 176.37 1pfl h ASN 9 N 0.00 -0.31 -0.99 6.45 -1.24 -1.32 0.19 115.58 118.36 1pfl h ASN 9 Ca 0.00 0.10 0.02 0.00 0.71 0.00 0.00 56.30 57.12 1pfl h ASN 9 Cb 0.22 0.21 -0.05 0.00 0.73 0.00 0.00 38.32 39.42 1pfl h ASN 9 CO 0.00 -0.11 0.65 -0.07 -1.29 0.00 0.00 177.43 176.61 1pfl h LEU 10 N -0.00 1.12 -0.21 0.34 -0.00 -1.55 0.26 115.31 115.27 1pfl h LEU 10 Ca 0.16 -0.03 -0.16 0.00 -0.00 0.00 0.00 57.88 57.85 1pfl h LEU 10 Cb 0.24 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.60 1pfl h LEU 10 CO -0.34 0.80 -0.77 0.24 -0.00 0.00 0.00 178.44 178.37 1pfl h MET 11 N 1.32 0.00 0.01 1.13 2.86 -1.22 -3.29 114.93 115.73 1pfl h MET 11 Ca 0.37 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.76 1pfl h MET 11 Cb -0.12 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 1pfl h MET 11 CO -0.09 0.77 -1.29 0.00 1.06 0.00 0.00 176.91 177.36 1pfl h ALA 12 N 1.23 0.49 0.00 6.32 0.00 0.12 -3.39 119.26 124.03 1pfl h ALA 12 Ca -0.01 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 53.78 1pfl h ALA 12 Cb 1.50 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1pfl h ALA 12 CO 0.10 1.36 0.00 -0.40 0.00 0.00 0.00 179.25 180.31 1pfl n ASP 13 N -3.25 0.00 -2.61 0.00 5.68 0.86 -4.89 116.55 112.33 1pfl n ASP 13 Ca -0.07 -0.43 -0.16 0.00 -0.50 0.00 0.00 54.79 53.64 1pfl n ASP 13 Cb 0.99 -0.10 -0.03 0.00 -1.14 0.00 0.00 41.12 40.84 1pfl n ASP 13 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pfl n GLY 14 N 0.33 -0.14 0.00 6.12 0.00 -1.26 -4.21 105.19 106.02 1pfl n GLY 14 Ca 0.13 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1pfl n GLY 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1pfl n THR 15 N -1.80 0.00 -0.65 2.61 -1.04 -1.26 -4.99 114.28 107.15 1pfl n THR 15 Ca 0.04 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.01 1pfl n THR 15 Cb 0.16 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.70 1pfl n THR 15 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pfl n GLN 17 N -1.83 0.00 -4.05 0.00 0.00 -0.25 -3.96 117.38 107.28 1pfl n GLN 17 Ca 0.02 0.00 -0.20 0.00 -0.00 0.00 0.00 57.00 56.82 1pfl n GLN 17 Cb 0.07 -0.09 -0.07 0.00 0.00 0.00 0.00 30.24 30.16 1pfl n GLN 17 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1pfl n ASP 18 N -2.08 0.14 -3.53 1.69 2.03 -0.82 -4.90 116.55 109.07 1pfl n ASP 18 Ca 0.00 -2.95 -0.00 0.00 0.52 0.00 0.00 54.79 52.36 1pfl n ASP 18 Cb 0.00 1.25 -0.05 0.00 -0.72 0.00 0.00 41.12 41.60 1pfl n ASP 18 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pfl s ALA 19 N -3.11 -2.50 -0.20 -1.67 0.00 -1.26 -0.90 121.76 112.12 1pfl s ALA 19 Ca 0.28 2.12 -0.04 0.00 0.00 0.00 0.00 51.96 54.32 1pfl s ALA 19 Cb 0.01 -1.88 0.07 0.00 0.00 0.00 0.00 23.12 21.32 1pfl s ALA 19 CO 0.20 -0.61 0.08 0.00 0.00 0.00 0.00 175.76 175.43 1pfl s ALA 20 N 1.80 0.67 -0.32 0.00 0.00 0.36 -1.95 121.76 122.33 1pfl s ALA 20 Ca -0.06 -0.60 -0.25 0.00 0.00 0.00 0.00 51.96 51.05 1pfl s ALA 20 Cb -0.04 -1.16 0.01 0.00 0.00 0.00 0.00 23.12 21.93 1pfl s ALA 20 CO -0.16 -1.27 0.87 0.42 0.00 0.00 0.00 175.76 175.63 1pfl s ILE 21 N 2.03 4.70 -0.19 0.00 1.01 -0.88 -0.61 121.20 127.26 1pfl s ILE 21 Ca 0.03 1.31 0.01 0.00 0.00 0.00 0.00 60.65 61.99 1pfl s ILE 21 Cb -0.16 -4.24 0.04 0.00 0.01 0.00 0.00 42.46 38.11 1pfl s ILE 21 CO -0.14 -0.35 -0.10 -0.69 0.00 0.00 0.00 174.94 173.67 1pfl s VAL 22 N 3.19 1.55 -1.01 2.92 1.01 -0.45 -0.50 120.40 127.11 1pfl s VAL 22 Ca 0.36 -0.91 -0.25 0.00 0.00 0.00 0.00 61.98 61.18 1pfl s VAL 22 Cb -0.13 -1.62 -0.11 0.00 0.00 0.00 0.00 36.38 34.51 1pfl s VAL 22 CO 0.14 0.19 2.06 -0.83 0.00 0.00 0.00 175.10 176.66 1pfl s GLY 23 N 1.44 -0.25 -0.14 4.51 0.00 0.11 -1.56 107.32 111.43 1pfl s GLY 23 Ca -0.00 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.14 1pfl s GLY 23 CO -0.08 3.80 1.64 1.58 0.00 0.00 0.00 173.10 180.03 1pfl n TYR 24 N 16.05 0.77 0.00 1.90 4.11 -1.26 -1.21 117.16 137.51 1pfl n TYR 24 Ca 0.43 -1.18 0.00 0.00 -0.00 0.00 0.00 57.90 57.15 1pfl n TYR 24 Cb 0.46 -0.58 0.00 0.00 -0.00 0.00 0.00 39.34 39.22 1pfl n TYR 24 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1pfl n LYS 25 N 0.53 1.84 -0.29 -3.48 4.01 -1.26 -4.72 118.16 114.79 1pfl n LYS 25 Ca 0.15 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.83 1pfl n LYS 25 Cb 0.66 0.00 -0.09 0.00 -0.51 0.00 0.00 35.03 35.08 1pfl n LYS 25 CO 0.00 0.00 0.00 0.38 -1.11 0.00 0.00 177.40 176.67 1pfl h ASP 26 N 0.00 -1.99 -3.57 4.39 2.03 -2.01 -3.32 116.42 111.95 1pfl h ASP 26 Ca 0.00 0.29 -0.64 0.00 -0.73 0.00 0.00 57.03 55.95 1pfl h ASP 26 Cb 0.00 0.86 -0.21 0.00 -0.83 0.00 0.00 39.33 39.15 1pfl h ASP 26 CO 0.00 -0.31 -0.61 -0.94 -1.03 0.00 0.00 179.24 176.35 1pfl s SER 27 N -5.29 5.28 0.47 4.15 1.04 -1.26 -5.05 113.70 113.04 1pfl s SER 27 Ca -0.13 -0.13 -0.19 0.00 0.48 0.00 0.00 55.95 55.98 1pfl s SER 27 Cb 0.10 -1.94 -0.10 0.00 0.10 0.00 0.00 66.02 64.19 1pfl s SER 27 CO 0.62 0.02 0.97 -2.16 0.98 0.00 0.00 173.24 173.67 1pfl s PRO 28 N 1.30 4.09 0.09 4.02 0.04 -1.25 -4.73 135.00 138.56 1pfl s PRO 28 Ca 0.05 1.05 -0.18 0.00 0.04 0.00 0.00 61.00 61.96 1pfl s PRO 28 Cb -0.15 -2.16 0.04 0.00 0.04 0.00 0.00 34.50 32.28 1pfl s PRO 28 CO 0.04 -0.15 0.43 -1.54 0.04 0.00 0.00 177.00 175.82 1pfl s SER 29 N -2.57 -0.30 -0.59 6.66 1.04 -0.35 -4.79 113.70 112.80 1pfl s SER 29 Ca 0.61 -0.13 -0.23 0.00 0.48 0.00 0.00 55.95 56.69 1pfl s SER 29 Cb -0.10 0.47 0.06 0.00 0.10 0.00 0.00 66.02 66.55 1pfl s SER 29 CO 0.21 -0.78 0.89 -0.69 0.98 0.00 0.00 173.24 173.86 1pfl s VAL 30 N -3.18 4.45 0.28 5.02 1.01 -1.26 0.04 120.40 126.77 1pfl s VAL 30 Ca -0.01 -0.14 0.16 0.00 0.00 0.00 0.00 61.98 61.99 1pfl s VAL 30 Cb 0.00 -4.56 0.11 0.00 0.00 0.00 0.00 36.38 31.93 1pfl s VAL 30 CO -0.07 -1.20 1.78 -0.50 0.00 0.00 0.00 175.10 175.10 1pfl h TRP 31 N 9.36 0.00 -0.02 5.22 4.06 -1.11 -3.43 115.95 130.03 1pfl h TRP 31 Ca -0.28 0.00 0.12 0.00 2.06 0.00 0.00 58.89 60.80 1pfl h TRP 31 Cb 1.08 0.00 -0.16 0.00 -1.00 0.00 0.00 29.16 29.07 1pfl h TRP 31 CO 0.91 0.39 -0.04 0.00 -3.56 0.00 0.00 178.44 176.14 1pfl s ALA 32 N -3.86 -4.97 -0.09 1.49 0.00 -0.42 -4.97 121.76 108.94 1pfl s ALA 32 Ca -0.01 1.24 0.04 0.00 0.00 0.00 0.00 51.96 53.22 1pfl s ALA 32 Cb 0.13 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 20.17 1pfl s ALA 32 CO 0.70 -2.57 -0.21 0.00 0.00 0.00 0.00 175.76 173.68 1pfl s ALA 33 N 1.59 2.32 -0.62 0.00 0.00 -1.26 -2.07 121.76 121.72 1pfl s ALA 33 Ca 0.17 -0.98 -0.31 0.00 0.00 0.00 0.00 51.96 50.85 1pfl s ALA 33 Cb 0.09 -0.88 -0.14 0.00 0.00 0.00 0.00 23.12 22.20 1pfl s ALA 33 CO -0.15 0.34 2.44 0.28 0.00 0.00 0.00 175.76 178.67 1pfl n VAL 34 N 3.25 0.03 -2.12 0.00 0.31 -0.82 -4.61 118.33 114.36 1pfl n VAL 34 Ca -0.18 -0.34 -0.33 0.00 -0.01 0.00 0.00 64.34 63.48 1pfl n VAL 34 Cb 0.53 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 1pfl n VAL 34 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1pfl s PRO 35 N 7.84 3.38 0.00 5.55 0.04 -1.26 -3.80 135.00 146.76 1pfl s PRO 35 Ca 1.15 1.25 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1pfl s PRO 35 Cb -0.79 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1pfl s PRO 35 CO 0.42 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 177.11 1pfl n GLY 36 N -0.81 3.23 0.00 0.56 0.00 -1.26 -4.94 105.19 101.96 1pfl n GLY 36 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1pfl n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pfl n LYS 37 N -2.00 0.00 0.00 1.61 4.76 -1.25 -5.06 118.16 116.22 1pfl n LYS 37 Ca 0.00 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 1pfl n LYS 37 Cb 0.00 -0.68 0.00 0.00 -1.84 0.00 0.00 35.03 32.51 1pfl n LYS 37 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1pfl n THR 38 N -2.01 0.00 -0.22 -0.18 -1.04 -1.26 -5.01 114.28 104.56 1pfl n THR 38 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 1pfl n THR 38 Cb 0.00 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.57 1pfl n THR 38 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 1pfl h PHE 39 N 0.00 0.76 -0.05 -1.42 -1.00 -1.83 -2.21 116.94 111.19 1pfl h PHE 39 Ca 0.00 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.81 1pfl h PHE 39 Cb 0.00 -0.25 -0.00 0.00 3.61 0.00 0.00 35.95 39.31 1pfl h PHE 39 CO 0.00 0.45 0.19 -0.24 -1.61 0.00 0.00 178.31 177.10 1pfl h VAL 40 N 0.81 0.11 -0.19 -0.55 3.04 -1.81 0.14 116.25 117.80 1pfl h VAL 40 Ca 0.25 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.91 1pfl h VAL 40 Cb -0.02 0.82 -0.02 0.00 -2.01 0.00 0.00 31.29 30.06 1pfl h VAL 40 CO -0.08 0.00 0.04 0.59 -1.01 0.00 0.00 177.57 177.11 1pfl n ASN 41 N -3.17 2.56 -4.65 3.17 3.02 -0.83 -4.70 115.26 110.65 1pfl n ASN 41 Ca -0.01 -2.31 -0.43 0.00 -0.03 0.00 0.00 54.58 51.80 1pfl n ASN 41 Cb 0.26 -0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 38.84 1pfl n ASN 41 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1pfl s ILE 42 N -1.38 3.92 0.56 2.41 1.01 0.50 -4.58 121.20 123.63 1pfl s ILE 42 Ca 0.16 1.10 0.07 0.00 0.00 0.00 0.00 60.65 61.97 1pfl s ILE 42 Cb 0.12 -3.76 0.06 0.00 0.01 0.00 0.00 42.46 38.90 1pfl s ILE 42 CO 0.04 -0.15 0.53 0.42 0.00 0.00 0.00 174.94 175.78 1pfl s THR 43 N 4.01 1.73 -2.00 2.92 -4.23 -1.26 -4.61 115.64 112.20 1pfl s THR 43 Ca 0.64 -1.34 0.12 0.00 -1.18 0.00 0.00 61.69 59.93 1pfl s THR 43 Cb -0.26 -2.08 0.35 0.00 1.34 0.00 0.00 72.50 71.85 1pfl s THR 43 CO 0.23 0.00 1.16 -0.81 -0.54 0.00 0.00 174.62 174.66 1pfl n PRO 44 N -1.94 0.43 -0.03 3.99 -0.04 -1.26 -1.83 135.00 134.33 1pfl n PRO 44 Ca 0.04 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.48 1pfl n PRO 44 Cb 0.64 -1.45 -0.00 0.00 -0.04 0.00 0.00 33.50 32.65 1pfl n PRO 44 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pfl h ALA 45 N 2.76 0.00 -0.34 0.55 0.00 -1.96 0.34 119.26 120.61 1pfl h ALA 45 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1pfl h ALA 45 Cb 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1pfl h ALA 45 CO 0.00 0.14 0.23 1.05 0.00 0.00 0.00 179.25 180.66 1pfl h GLU 46 N -0.56 0.41 0.00 0.00 9.09 -1.75 0.14 114.58 121.91 1pfl h GLU 46 Ca 0.00 -0.02 -0.10 0.00 0.05 0.00 0.00 59.36 59.29 1pfl h GLU 46 Cb 0.14 -0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 27.13 1pfl h GLU 46 CO 0.00 0.27 -0.62 0.28 0.05 0.00 0.00 179.01 178.99 1pfl h VAL 47 N 0.42 0.65 0.00 -1.06 2.07 -1.51 -2.71 116.25 114.11 1pfl h VAL 47 Ca 0.13 -1.97 -0.01 0.00 0.82 0.00 0.00 66.70 65.68 1pfl h VAL 47 Cb 0.01 2.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1pfl h VAL 47 CO -0.03 0.37 -0.03 1.23 0.02 0.00 0.00 177.57 179.13 1pfl h GLY 48 N 3.62 0.00 0.11 2.17 0.00 0.26 0.57 103.07 109.80 1pfl h GLY 48 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.93 1pfl h GLY 48 CO 0.05 0.00 -2.35 1.55 0.00 0.00 0.00 176.54 175.79 1pfl n VAL 49 N -4.18 1.47 0.36 4.60 3.14 -1.06 -0.19 118.33 122.47 1pfl n VAL 49 Ca -0.03 -0.74 0.13 0.00 -2.96 0.00 0.00 64.34 60.74 1pfl n VAL 49 Cb 0.11 -0.93 0.54 0.00 -1.06 0.00 0.00 33.84 32.50 1pfl n VAL 49 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1pfl h LEU 50 N 0.00 0.00 0.00 6.55 3.38 -1.21 -3.34 115.31 120.70 1pfl h LEU 50 Ca -0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1pfl h LEU 50 Cb 2.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.84 1pfl h LEU 50 CO -0.01 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.85 1pfl n VAL 51 N -2.35 0.00 -0.27 1.22 0.24 0.17 -5.04 118.33 112.30 1pfl n VAL 51 Ca 0.01 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 62.01 1pfl n VAL 51 Cb 0.21 0.85 0.30 0.00 -1.47 0.00 0.00 33.84 33.73 1pfl n VAL 51 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1pfl s GLY 52 N 0.00 1.39 0.00 7.63 0.00 0.73 -4.88 107.32 112.19 1pfl s GLY 52 Ca 0.00 -0.78 0.29 0.00 0.00 0.00 0.00 44.72 44.22 1pfl s GLY 52 CO 0.00 0.24 1.95 0.58 0.00 0.00 0.00 173.10 175.88 1pfl n LYS 53 N -5.77 0.15 -1.71 2.90 -0.00 -1.26 -4.86 118.16 107.61 1pfl n LYS 53 Ca 0.12 0.01 -0.57 0.00 -0.00 0.00 0.00 58.31 57.88 1pfl n LYS 53 Cb 0.60 -1.50 -0.07 0.00 -0.00 0.00 0.00 35.03 34.06 1pfl n LYS 53 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1pfl n ASP 54 N -1.42 2.47 -1.17 -5.58 2.03 -1.26 -4.86 116.55 106.75 1pfl n ASP 54 Ca 0.09 1.07 -0.06 0.00 0.52 0.00 0.00 54.79 56.41 1pfl n ASP 54 Cb 0.30 -1.16 0.16 0.00 -0.72 0.00 0.00 41.12 39.70 1pfl n ASP 54 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1pfl n ARG 55 N 5.42 2.15 0.00 -0.67 0.63 -1.26 -4.91 116.66 118.01 1pfl n ARG 55 Ca 0.26 -3.46 0.00 0.00 -0.92 0.00 0.00 57.85 53.73 1pfl n ARG 55 Cb 0.15 -1.85 0.00 0.00 0.45 0.00 0.00 32.46 31.20 1pfl n ARG 55 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1pfl n SER 56 N -1.03 0.00 0.00 6.15 2.88 -1.26 -5.04 113.62 115.32 1pfl n SER 56 Ca 0.31 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 1pfl n SER 56 Cb 0.87 0.37 0.00 0.00 -0.75 0.00 0.00 64.21 64.69 1pfl n SER 56 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1pfl n SER 57 N -2.22 0.00 -0.06 -3.46 3.41 -1.26 -2.06 113.62 107.97 1pfl n SER 57 Ca 0.00 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.78 1pfl n SER 57 Cb 0.00 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.22 1pfl n SER 57 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1pfl n PHE 58 N 0.00 0.00 0.05 7.33 1.16 -1.26 -1.52 117.46 123.21 1pfl n PHE 58 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.59 1pfl n PHE 58 Cb 0.00 -0.16 0.03 0.00 -1.61 0.00 0.00 39.48 37.74 1pfl n PHE 58 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 1pfl n TYR 59 N -2.74 0.00 0.00 2.97 4.01 -0.88 -1.43 117.16 119.09 1pfl n TYR 59 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 1pfl n TYR 59 Cb 1.18 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 39.79 1pfl n TYR 59 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1pfl n VAL 60 N -1.42 0.00 0.05 -0.72 0.24 -0.58 -4.65 118.33 111.25 1pfl n VAL 60 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.08 1pfl n VAL 60 Cb 0.01 -0.60 -0.15 0.00 -1.47 0.00 0.00 33.84 31.64 1pfl n VAL 60 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1pfl h ASN 61 N 0.00 0.55 -3.34 -1.34 7.08 -1.61 -3.46 115.58 113.46 1pfl h ASN 61 Ca 0.00 -0.94 0.00 0.00 -3.08 0.00 0.00 56.30 52.28 1pfl h ASN 61 Cb 0.62 -0.18 0.00 0.00 -2.08 0.00 0.00 38.32 36.68 1pfl h ASN 61 CO 0.00 1.81 0.00 0.61 -2.08 0.00 0.00 177.43 177.77 1pfl n GLY 62 N 1.90 3.55 0.00 9.14 0.00 -0.52 -4.60 105.19 114.66 1pfl n GLY 62 Ca -0.27 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1pfl n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pfl n LEU 63 N 0.00 0.00 -3.65 0.99 4.77 0.21 -4.70 117.00 114.62 1pfl n LEU 63 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1pfl n LEU 63 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1pfl n LEU 63 CO 0.00 -0.05 0.28 0.42 -1.33 0.00 0.00 177.39 176.72 1pfl s THR 64 N 0.00 -0.16 -0.26 -5.08 -4.23 -1.26 -2.45 115.64 102.21 1pfl s THR 64 Ca 0.00 0.02 -0.02 0.00 -1.18 0.00 0.00 61.69 60.51 1pfl s THR 64 Cb 0.00 -0.93 0.08 0.00 1.34 0.00 0.00 72.50 72.99 1pfl s THR 64 CO 0.00 0.01 0.06 -1.48 -0.54 0.00 0.00 174.62 172.67 1pfl s LEU 65 N 1.80 1.77 -0.52 4.79 0.05 -0.92 -4.31 118.68 121.34 1pfl s LEU 65 Ca -0.09 -1.26 0.00 0.00 0.05 0.00 0.00 54.13 52.83 1pfl s LEU 65 Cb -0.07 -0.76 0.00 0.00 -2.05 0.00 0.00 46.19 43.31 1pfl s LEU 65 CO -0.19 -0.36 0.00 0.61 -0.55 0.00 0.00 176.35 175.87 1pfl n GLY 66 N 4.93 0.57 1.21 -3.48 0.00 -1.26 -2.46 105.19 104.71 1pfl n GLY 66 Ca -0.06 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1pfl n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pfl n GLY 67 N -1.89 0.69 3.20 -0.02 0.00 -1.26 -4.79 105.19 101.12 1pfl n GLY 67 Ca -0.06 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 1pfl n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pfl s GLN 68 N -0.52 2.37 -0.15 1.61 -0.44 -1.03 -5.06 119.66 116.45 1pfl s GLN 68 Ca 0.00 -1.56 -0.29 0.00 -2.50 0.00 0.00 55.36 51.02 1pfl s GLN 68 Cb 0.00 -3.62 -0.06 0.00 -1.64 0.00 0.00 33.01 27.69 1pfl s GLN 68 CO 0.00 -0.95 2.10 0.21 0.50 0.00 0.00 175.29 177.16 1pfl s LYS 69 N 1.30 3.45 0.13 1.67 2.20 -1.26 -2.17 119.74 125.06 1pfl s LYS 69 Ca 0.03 2.15 0.06 0.00 -0.36 0.00 0.00 55.97 57.86 1pfl s LYS 69 Cb -0.22 -4.29 -0.04 0.00 -1.51 0.00 0.00 37.83 31.76 1pfl s LYS 69 CO -0.01 -1.74 -0.02 0.00 -0.36 0.00 0.00 175.35 173.23 1pfl s SER 71 N -2.58 5.16 -0.42 0.00 1.04 -0.30 0.65 113.70 117.25 1pfl s SER 71 Ca 0.26 -0.17 -0.29 0.00 0.48 0.00 0.00 55.95 56.22 1pfl s SER 71 Cb -0.10 -1.92 -0.08 0.00 0.10 0.00 0.00 66.02 64.01 1pfl s SER 71 CO 0.18 -0.00 2.34 0.52 0.98 0.00 0.00 173.24 177.25 1pfl n VAL 72 N 4.72 0.10 -2.92 5.02 0.31 -1.26 -1.43 118.33 122.86 1pfl n VAL 72 Ca -0.16 -0.54 -0.37 0.00 -0.01 0.00 0.00 64.34 63.26 1pfl n VAL 72 Cb 0.52 -2.34 -0.01 0.00 -0.91 0.00 0.00 33.84 31.09 1pfl n VAL 72 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1pfl n ILE 73 N 7.75 4.82 0.00 2.52 5.41 0.34 -4.80 119.36 135.40 1pfl n ILE 73 Ca 0.38 -5.80 0.00 0.00 1.00 0.00 0.00 62.75 58.33 1pfl n ILE 73 Cb 0.42 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.57 1pfl n ILE 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1pfl n ARG 74 N 0.49 0.00 -3.85 0.38 5.12 -1.23 -3.61 116.66 113.96 1pfl n ARG 74 Ca 0.35 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.97 1pfl n ARG 74 Cb 0.33 0.00 -0.13 0.00 -1.16 0.00 0.00 32.46 31.49 1pfl n ARG 74 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1pfl s ASP 75 N 0.00 4.04 -0.23 0.55 2.15 -1.26 -1.07 116.67 120.85 1pfl s ASP 75 Ca 0.00 -2.90 0.14 0.00 0.43 0.00 0.00 52.55 50.22 1pfl s ASP 75 Cb 0.00 -1.38 0.46 0.00 -0.30 0.00 0.00 42.92 41.69 1pfl s ASP 75 CO 0.00 -0.24 1.18 -1.20 -0.17 0.00 0.00 175.17 174.74 1pfl n SER 76 N 3.23 2.95 0.00 -0.34 7.64 -1.01 -4.82 113.62 121.27 1pfl n SER 76 Ca 0.07 -3.21 0.11 0.00 1.01 0.00 0.00 58.87 56.85 1pfl n SER 76 Cb 0.33 -0.41 0.54 0.00 -1.01 0.00 0.00 64.21 63.67 1pfl n SER 76 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1pfl n LEU 77 N -0.64 0.00 -4.37 -3.43 7.94 -1.25 0.13 117.00 115.39 1pfl n LEU 77 Ca 0.25 0.35 -0.35 0.00 -1.11 0.00 0.00 56.01 55.15 1pfl n LEU 77 Cb 0.89 -0.35 -0.13 0.00 0.53 0.00 0.00 43.42 44.36 1pfl n LEU 77 CO 0.17 -0.08 -0.36 -0.76 -1.11 0.00 0.00 177.39 175.24 1pfl s LEU 78 N -2.69 3.05 -0.26 -1.96 1.43 -1.26 -4.31 118.68 112.67 1pfl s LEU 78 Ca 0.18 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 52.86 1pfl s LEU 78 Cb 0.15 -1.78 -0.12 0.00 0.03 0.00 0.00 46.19 44.48 1pfl s LEU 78 CO 0.36 0.01 1.24 0.00 0.23 0.00 0.00 176.35 178.19 1pfl n GLN 79 N 4.59 0.02 -1.00 1.70 10.64 -1.26 -4.13 117.38 127.94 1pfl n GLN 79 Ca -0.18 -0.56 -0.06 0.00 -1.83 0.00 0.00 57.00 54.37 1pfl n GLN 79 Cb 0.51 -1.94 0.29 0.00 -0.86 0.00 0.00 30.24 28.25 1pfl n GLN 79 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1pfl n ASP 80 N 8.68 4.63 0.00 2.61 -0.08 -1.26 -4.74 116.55 126.39 1pfl n ASP 80 Ca 0.17 -3.27 0.00 0.00 -1.51 0.00 0.00 54.79 50.18 1pfl n ASP 80 Cb 0.42 -0.74 0.00 0.00 2.34 0.00 0.00 41.12 43.14 1pfl n ASP 80 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pfl n GLY 81 N -0.28 1.49 2.07 0.27 0.00 -1.26 -4.97 105.19 102.50 1pfl n GLY 81 Ca 0.41 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1pfl n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pfl n GLU 82 N -1.36 0.00 -0.41 1.61 4.71 -1.26 -5.02 120.64 118.92 1pfl n GLU 82 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1pfl n GLU 82 Cb 0.05 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.48 1pfl n GLU 82 CO 0.00 0.00 0.00 1.97 0.09 0.00 0.00 177.13 179.19 1pfl n PHE 83 N -3.07 0.00 -3.41 -0.32 -1.74 0.35 -4.87 117.46 104.40 1pfl n PHE 83 Ca 0.00 0.00 -0.37 0.00 -0.56 0.00 0.00 57.45 56.52 1pfl n PHE 83 Cb 0.00 -1.28 -0.06 0.00 1.52 0.00 0.00 39.48 39.65 1pfl n PHE 83 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1pfl s SER 84 N -1.50 6.58 -0.04 5.98 1.04 -0.19 -2.11 113.70 123.46 1pfl s SER 84 Ca 0.00 0.69 -0.01 0.00 0.48 0.00 0.00 55.95 57.11 1pfl s SER 84 Cb 0.00 -2.24 0.03 0.00 0.10 0.00 0.00 66.02 63.91 1pfl s SER 84 CO 0.00 0.05 0.07 -0.32 0.98 0.00 0.00 173.24 174.02 1pfl s MET 85 N 0.53 0.01 0.11 4.02 0.00 -0.38 -2.41 119.30 121.19 1pfl s MET 85 Ca 0.22 0.25 -0.08 0.00 0.00 0.00 0.00 55.69 56.09 1pfl s MET 85 Cb -0.14 -0.21 -0.06 0.00 0.00 0.00 0.00 34.83 34.42 1pfl s MET 85 CO 0.08 -0.16 0.39 -0.51 0.00 0.00 0.00 175.02 174.82 1pfl s ASP 86 N 1.08 6.57 -0.17 1.11 1.01 -0.23 -0.06 116.67 125.97 1pfl s ASP 86 Ca -0.09 0.71 -0.14 0.00 0.71 0.00 0.00 52.55 53.74 1pfl s ASP 86 Cb -0.12 -2.14 0.05 0.00 1.01 0.00 0.00 42.92 41.72 1pfl s ASP 86 CO -0.04 0.11 0.44 -1.48 0.21 0.00 0.00 175.17 174.41 1pfl s LEU 87 N -2.27 0.20 -0.01 1.23 -0.00 -0.91 0.13 118.68 117.03 1pfl s LEU 87 Ca 0.37 0.90 0.01 0.00 -0.00 0.00 0.00 54.13 55.41 1pfl s LEU 87 Cb -0.13 1.48 0.01 0.00 -0.00 0.00 0.00 46.19 47.55 1pfl s LEU 87 CO 0.21 -0.16 -0.03 0.00 -0.00 0.00 0.00 176.35 176.36 1pfl s ARG 88 N 0.55 0.40 -0.80 1.48 1.70 -0.52 -0.23 118.95 121.53 1pfl s ARG 88 Ca -0.03 -0.09 -0.24 0.00 -0.47 0.00 0.00 55.73 54.91 1pfl s ARG 88 Cb -0.04 -0.44 -0.16 0.00 -0.57 0.00 0.00 34.95 33.73 1pfl s ARG 88 CO -0.03 0.01 2.39 0.25 -1.08 0.00 0.00 175.30 176.84 1pfl n THR 89 N 3.40 -0.01 -2.92 4.99 -2.24 0.33 -1.15 114.28 116.68 1pfl n THR 89 Ca -0.18 -0.52 -0.40 0.00 -2.27 0.00 0.00 64.05 60.68 1pfl n THR 89 Cb 0.55 -1.75 -0.05 0.00 -2.10 0.00 0.00 70.33 66.98 1pfl n THR 89 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1pfl s LYS 90 N 8.60 4.54 0.00 -0.78 1.02 -1.26 -2.14 119.74 129.72 1pfl s LYS 90 Ca 1.00 1.15 0.00 0.00 0.02 0.00 0.00 55.97 58.14 1pfl s LYS 90 Cb -0.26 -3.37 0.00 0.00 -0.52 0.00 0.00 37.83 33.68 1pfl s LYS 90 CO 0.17 0.25 0.00 0.45 -0.92 0.00 0.00 175.35 175.30 1pfl n SER 91 N 2.87 1.19 -4.41 2.83 2.88 -1.26 -5.01 113.62 112.71 1pfl n SER 91 Ca -0.01 -0.33 -0.20 0.00 -1.33 0.00 0.00 58.87 57.00 1pfl n SER 91 Cb 0.50 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.86 1pfl n SER 91 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1pfl s THR 92 N 0.89 1.18 0.00 2.46 -4.23 -1.26 -4.97 115.64 109.71 1pfl s THR 92 Ca 0.00 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 1pfl s THR 92 Cb 0.00 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.22 1pfl s THR 92 CO 0.00 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 1pfl n GLY 93 N -0.59 2.16 2.71 3.99 0.00 -1.26 -0.92 105.19 111.29 1pfl n GLY 93 Ca -0.03 0.42 -0.32 0.00 0.00 0.00 0.00 46.02 46.09 1pfl n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pfl n GLY 94 N 0.00 5.82 4.00 -0.02 0.00 -1.26 -5.04 105.19 108.70 1pfl n GLY 94 Ca 0.00 -2.68 -0.18 0.00 0.00 0.00 0.00 46.02 43.16 1pfl n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pfl s ALA 95 N -3.77 4.38 -0.23 4.61 0.00 -0.09 -5.08 121.76 121.58 1pfl s ALA 95 Ca 0.48 -1.56 -0.15 0.00 0.00 0.00 0.00 51.96 50.73 1pfl s ALA 95 Cb 0.35 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 1pfl s ALA 95 CO -0.22 -0.16 0.35 -1.25 0.00 0.00 0.00 175.76 174.48 1pfl s PRO 96 N -4.26 4.10 0.75 0.00 0.04 -1.26 -4.83 135.00 129.53 1pfl s PRO 96 Ca 0.50 0.07 -0.03 0.00 0.04 0.00 0.00 61.00 61.58 1pfl s PRO 96 Cb -0.10 -3.59 0.14 0.00 0.04 0.00 0.00 34.50 30.99 1pfl s PRO 96 CO 0.32 -0.12 1.03 0.95 0.04 0.00 0.00 177.00 179.22 1pfl s THR 97 N 1.58 2.11 0.08 1.26 -4.23 -1.26 -4.78 115.64 110.40 1pfl s THR 97 Ca 0.16 -0.52 -0.15 0.00 -1.18 0.00 0.00 61.69 59.99 1pfl s THR 97 Cb -0.15 -2.59 0.03 0.00 1.34 0.00 0.00 72.50 71.13 1pfl s THR 97 CO 0.08 0.00 0.36 -0.36 -0.54 0.00 0.00 174.62 174.16 1pfl s PHE 98 N -3.23 -0.16 0.07 3.99 0.08 -0.91 -4.87 117.98 112.94 1pfl s PHE 98 Ca 0.67 -0.04 0.00 0.00 0.12 0.00 0.00 56.93 57.69 1pfl s PHE 98 Cb -0.05 0.17 -0.00 0.00 -0.57 0.00 0.00 43.02 42.57 1pfl s PHE 98 CO 0.45 -0.59 0.02 0.09 -0.10 0.00 0.00 175.22 175.09 1pfl n ASN 99 N 0.22 1.31 -3.64 1.36 3.02 -1.06 0.12 115.26 116.59 1pfl n ASN 99 Ca -0.17 -1.34 -0.04 0.00 -0.03 0.00 0.00 54.58 53.00 1pfl n ASN 99 Cb 0.61 0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 39.90 1pfl n ASN 99 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1pfl s VAL 100 N -1.64 0.00 0.10 2.41 1.01 0.68 -0.43 120.40 122.52 1pfl s VAL 100 Ca 0.02 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.72 1pfl s VAL 100 Cb 0.00 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1pfl s VAL 100 CO 0.02 0.00 -0.08 -0.89 0.00 0.00 0.00 175.10 174.15 1pfl s THR 101 N -2.95 0.76 -0.17 3.92 2.01 -0.06 -2.15 115.64 117.00 1pfl s THR 101 Ca 0.10 -1.80 -0.04 0.00 0.31 0.00 0.00 61.69 60.26 1pfl s THR 101 Cb 0.00 -1.52 0.09 0.00 0.01 0.00 0.00 72.50 71.08 1pfl s THR 101 CO -0.03 -0.75 0.28 -0.69 -0.69 0.00 0.00 174.62 172.73 1pfl s VAL 102 N -3.14 -0.43 -0.30 3.82 1.01 0.91 -1.58 120.40 120.69 1pfl s VAL 102 Ca 0.09 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.11 1pfl s VAL 102 Cb 0.02 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.84 1pfl s VAL 102 CO -0.03 -0.02 0.06 0.42 0.00 0.00 0.00 175.10 175.53 1pfl s THR 103 N 2.42 3.68 -0.33 3.92 -4.23 -0.77 -1.25 115.64 119.08 1pfl s THR 103 Ca 0.05 -0.92 -0.17 0.00 -1.18 0.00 0.00 61.69 59.47 1pfl s THR 103 Cb -0.14 -2.96 -0.01 0.00 1.34 0.00 0.00 72.50 70.73 1pfl s THR 103 CO -0.11 0.01 0.44 -0.75 -0.54 0.00 0.00 174.62 173.67 1pfl s LYS 104 N 1.43 3.66 0.00 3.99 2.47 -0.90 -1.90 119.74 128.49 1pfl s LYS 104 Ca 0.00 -0.22 0.00 0.00 -1.56 0.00 0.00 55.97 54.20 1pfl s LYS 104 Cb -0.18 -3.78 0.00 0.00 -1.46 0.00 0.00 37.83 32.41 1pfl s LYS 104 CO 0.01 -0.55 0.00 0.25 0.16 0.00 0.00 175.35 175.23 1pfl n THR 105 N 5.31 0.00 0.26 3.43 -2.24 -0.98 -4.70 114.28 115.36 1pfl n THR 105 Ca -0.07 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.82 1pfl n THR 105 Cb 0.49 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.65 1pfl n THR 105 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1pfl n ASP 106 N 0.00 0.44 -0.72 3.42 2.03 -1.19 -4.59 116.55 115.94 1pfl n ASP 106 Ca 0.00 -0.07 -0.01 0.00 0.52 0.00 0.00 54.79 55.23 1pfl n ASP 106 Cb 0.00 1.24 -0.01 0.00 -0.72 0.00 0.00 41.12 41.63 1pfl n ASP 106 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1pfl n LYS 107 N -2.20 0.00 -3.94 -0.67 5.02 -1.20 -5.11 118.16 110.06 1pfl n LYS 107 Ca -0.01 -0.74 -0.09 0.00 -2.02 0.00 0.00 58.31 55.45 1pfl n LYS 107 Cb 0.51 -0.06 -0.10 0.00 -0.02 0.00 0.00 35.03 35.36 1pfl n LYS 107 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1pfl s THR 108 N 0.00 0.13 -0.56 -0.18 -4.23 -1.26 -4.44 115.64 105.10 1pfl s THR 108 Ca 0.05 -1.11 0.04 0.00 -1.18 0.00 0.00 61.69 59.49 1pfl s THR 108 Cb 0.05 -0.85 0.14 0.00 1.34 0.00 0.00 72.50 73.18 1pfl s THR 108 CO -0.02 -0.61 0.32 -0.22 -0.54 0.00 0.00 174.62 173.55 1pfl s LEU 109 N -2.08 4.34 0.12 4.79 1.98 -0.60 -2.31 118.68 124.92 1pfl s LEU 109 Ca -0.06 -3.21 -0.27 0.00 -2.89 0.00 0.00 54.13 47.70 1pfl s LEU 109 Cb -0.02 -1.60 -0.07 0.00 0.66 0.00 0.00 46.19 45.16 1pfl s LEU 109 CO -0.04 -0.19 0.83 -0.69 -1.89 0.00 0.00 176.35 174.36 1pfl s VAL 110 N -0.56 4.50 -0.02 1.68 1.01 -0.80 -1.34 120.40 124.87 1pfl s VAL 110 Ca 0.19 1.80 0.07 0.00 0.00 0.00 0.00 61.98 64.04 1pfl s VAL 110 Cb -0.20 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 1pfl s VAL 110 CO -0.04 0.42 -0.22 -0.76 0.00 0.00 0.00 175.10 174.50 1pfl s LEU 111 N -0.50 2.03 -0.39 3.92 1.43 0.22 -1.85 118.68 123.55 1pfl s LEU 111 Ca 0.40 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 53.12 1pfl s LEU 111 Cb -0.23 -1.13 0.12 0.00 0.03 0.00 0.00 46.19 44.98 1pfl s LEU 111 CO 0.26 0.26 0.16 -0.22 0.23 0.00 0.00 176.35 177.04 1pfl s LEU 112 N -0.45 3.16 0.32 1.79 2.96 -0.61 -0.49 118.68 125.36 1pfl s LEU 112 Ca 0.07 -2.26 -0.08 0.00 -0.22 0.00 0.00 54.13 51.64 1pfl s LEU 112 Cb -0.09 -1.17 -0.06 0.00 0.50 0.00 0.00 46.19 45.37 1pfl s LEU 112 CO -0.00 -0.33 0.63 -0.32 -1.32 0.00 0.00 176.35 175.00 1pfl s MET 113 N 0.79 3.71 0.00 1.98 -2.45 -0.08 -0.88 119.30 122.38 1pfl s MET 113 Ca 0.14 0.21 0.00 0.00 -1.25 0.00 0.00 55.69 54.79 1pfl s MET 113 Cb -0.21 -2.56 0.00 0.00 1.25 0.00 0.00 34.83 33.31 1pfl s MET 113 CO -0.09 0.15 0.00 0.41 1.05 0.00 0.00 175.02 176.53 1pfl n GLY 114 N -0.93 3.44 3.28 2.11 0.00 0.42 -1.09 105.19 112.43 1pfl n GLY 114 Ca 0.00 -0.15 0.03 0.00 0.00 0.00 0.00 46.02 45.90 1pfl n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pfl s LYS 115 N -0.92 0.25 -0.55 1.61 -0.14 -1.20 -2.55 119.74 116.24 1pfl s LYS 115 Ca 0.00 0.57 -0.00 0.00 -1.36 0.00 0.00 55.97 55.17 1pfl s LYS 115 Cb 0.00 0.33 0.14 0.00 -1.68 0.00 0.00 37.83 36.62 1pfl s LYS 115 CO 0.00 -0.16 0.33 -2.00 -0.76 0.00 0.00 175.35 172.76 1pfl s GLU 116 N 2.61 2.25 0.00 1.68 2.12 -1.25 -4.67 118.70 121.44 1pfl s GLU 116 Ca -0.00 -2.45 0.00 0.00 0.36 0.00 0.00 54.97 52.88 1pfl s GLU 116 Cb -0.08 -3.55 0.00 0.00 0.26 0.00 0.00 34.13 30.77 1pfl s GLU 116 CO -0.15 -1.13 0.00 0.41 -0.54 0.00 0.00 175.26 173.85 1pfl n GLY 117 N 3.52 0.00 2.95 -1.50 0.00 -1.26 -4.85 105.19 104.05 1pfl n GLY 117 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1pfl n GLY 117 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1pfl n VAL 118 N -1.46 0.00 0.02 1.61 3.14 -1.26 -4.96 118.33 115.41 1pfl n VAL 118 Ca 0.00 -0.46 -0.09 0.00 -2.96 0.00 0.00 64.34 60.83 1pfl n VAL 118 Cb 0.00 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 32.71 1pfl n VAL 118 CO 0.00 0.00 0.00 -0.74 -6.46 0.00 0.00 176.83 169.63 1pfl h HIS 119 N -0.09 -0.14 0.00 1.45 2.76 -1.94 -3.49 115.15 113.70 1pfl h HIS 119 Ca -0.38 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.79 1pfl h HIS 119 Cb 1.31 0.05 0.00 0.00 1.55 0.00 0.00 27.41 30.32 1pfl h HIS 119 CO 0.21 0.29 0.00 0.41 -1.30 0.00 0.00 177.93 177.54 1pfl n GLY 120 N 1.03 1.39 0.01 5.26 0.00 -1.26 -4.99 105.19 106.63 1pfl n GLY 120 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.95 1pfl n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pfl n GLY 121 N -0.93 -0.20 0.08 -0.02 0.00 -1.26 -4.19 105.19 98.67 1pfl n GLY 121 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 1pfl n GLY 121 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1pfl h LEU 122 N 0.00 0.10 -0.38 0.99 -0.00 -1.97 -2.68 115.31 111.37 1pfl h LEU 122 Ca -0.06 -0.13 -0.17 0.00 -0.00 0.00 0.00 57.88 57.51 1pfl h LEU 122 Cb 0.78 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.40 1pfl h LEU 122 CO 0.00 1.11 -0.49 0.40 -0.00 0.00 0.00 178.44 179.47 1pfl h ILE 123 N 0.02 1.28 -0.48 1.22 2.04 -1.96 0.51 117.51 120.14 1pfl h ILE 123 Ca -0.15 -1.67 -0.03 0.00 1.00 0.00 0.00 64.86 64.01 1pfl h ILE 123 Cb 1.90 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 39.52 1pfl h ILE 123 CO 0.12 0.55 0.19 -1.13 0.00 0.00 0.00 178.15 177.88 1pfl h ASN 124 N 0.66 0.62 1.43 1.72 -0.73 -1.72 0.10 115.58 117.66 1pfl h ASN 124 Ca 0.03 -0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.13 1pfl h ASN 124 Cb 1.08 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 39.51 1pfl h ASN 124 CO 0.11 0.56 -0.46 0.11 -0.37 0.00 0.00 177.43 177.38 1pfl h LYS 125 N 0.68 0.00 0.00 6.67 1.79 -1.10 -2.79 116.57 121.82 1pfl h LYS 125 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1pfl h LYS 125 Cb 0.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1pfl h LYS 125 CO -0.02 0.00 -0.68 1.63 -1.08 0.00 0.00 179.45 179.30 1pfl n LYS 126 N -2.74 0.29 -0.04 3.15 5.02 0.18 -2.45 118.16 121.56 1pfl n LYS 126 Ca 0.03 0.07 -0.10 0.00 -2.02 0.00 0.00 58.31 56.29 1pfl n LYS 126 Cb 0.52 -1.67 -0.15 0.00 -0.02 0.00 0.00 35.03 33.71 1pfl n LYS 126 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pfl h TYR 128 N 0.00 0.24 0.11 0.00 3.20 -1.54 -1.00 116.97 117.97 1pfl h TYR 128 Ca -0.37 -0.05 -0.30 0.00 3.14 0.00 0.00 58.73 61.16 1pfl h TYR 128 Cb 2.08 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 40.28 1pfl h TYR 128 CO 0.00 0.52 -1.47 0.93 -1.64 0.00 0.00 178.16 176.50 1pfl h GLU 129 N 0.18 0.23 -0.61 1.82 4.39 -1.56 -1.12 114.58 117.91 1pfl h GLU 129 Ca 0.02 -0.39 0.01 0.00 0.34 0.00 0.00 59.36 59.35 1pfl h GLU 129 Cb 0.68 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.44 1pfl h GLU 129 CO 0.05 1.09 0.40 1.98 -1.16 0.00 0.00 179.01 181.37 1pfl h MET 130 N 0.06 0.78 0.00 2.33 4.05 -1.08 -0.47 114.93 120.59 1pfl h MET 130 Ca -0.22 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.16 1pfl h MET 130 Cb 2.00 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 32.62 1pfl h MET 130 CO 0.16 0.51 0.00 0.00 0.23 0.00 0.00 176.91 177.81 1pfl h ALA 131 N 1.24 1.00 -0.10 0.39 0.00 -1.27 -3.01 119.26 117.50 1pfl h ALA 131 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1pfl h ALA 131 Cb -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1pfl h ALA 131 CO -0.07 0.00 0.01 0.77 0.00 0.00 0.00 179.25 179.96 1pfl h SER 132 N 0.00 0.13 0.26 0.00 0.02 0.25 0.22 113.55 114.43 1pfl h SER 132 Ca 0.00 -0.01 -0.34 0.00 -0.84 0.00 0.00 61.79 60.60 1pfl h SER 132 Cb 0.93 -0.03 0.04 0.00 0.14 0.00 0.00 62.40 63.47 1pfl h SER 132 CO 0.00 0.15 -1.51 -0.74 -1.14 0.00 0.00 176.83 173.59 1pfl h HIS 133 N 0.14 0.96 0.00 3.45 2.76 -1.36 -2.29 115.15 118.82 1pfl h HIS 133 Ca 0.04 -0.70 0.00 0.00 -2.20 0.00 0.00 60.37 57.50 1pfl h HIS 133 Cb 0.09 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.01 1pfl h HIS 133 CO 0.00 1.58 0.00 -0.07 -1.30 0.00 0.00 177.93 178.14 1pfl h LEU 134 N 0.14 0.00 0.18 0.26 4.07 -1.16 1.16 115.31 119.97 1pfl h LEU 134 Ca -0.27 0.00 -0.35 0.00 0.08 0.00 0.00 57.88 57.34 1pfl h LEU 134 Cb 2.17 0.00 0.01 0.00 1.08 0.00 0.00 40.66 43.92 1pfl h LEU 134 CO 0.27 0.00 -1.77 0.03 -1.08 0.00 0.00 178.44 175.89 1pfl h ARG 135 N 0.00 0.39 0.00 1.13 2.47 -0.57 -3.13 114.38 114.66 1pfl h ARG 135 Ca 0.00 -0.66 0.00 0.00 -1.26 0.00 0.00 59.98 58.06 1pfl h ARG 135 Cb 0.14 0.25 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 1pfl h ARG 135 CO 0.00 1.31 0.00 0.54 0.56 0.00 0.00 179.97 182.38 1pfl n ARG 136 N -3.58 0.59 0.07 0.04 1.74 0.22 -2.66 116.66 113.09 1pfl n ARG 136 Ca -0.25 0.02 0.12 0.00 -0.77 0.00 0.00 57.85 56.97 1pfl n ARG 136 Cb 1.07 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 31.21 1pfl n ARG 136 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1pfl h SER 137 N 0.00 0.00 -0.47 0.55 4.64 0.13 -3.48 113.55 114.92 1pfl h SER 137 Ca 0.00 -0.17 -0.08 0.00 -0.47 0.00 0.00 61.79 61.07 1pfl h SER 137 Cb 0.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1pfl h SER 137 CO 0.00 0.08 -0.09 1.67 -0.87 0.00 0.00 176.83 177.62 1pfl n GLN 138 N -2.19 -0.31 0.00 4.77 7.27 -1.09 -5.06 117.38 120.78 1pfl n GLN 138 Ca 0.03 0.31 0.03 0.00 0.07 0.00 0.00 57.00 57.44 1pfl n GLN 138 Cb 0.45 -4.01 0.03 0.00 2.41 0.00 0.00 30.24 29.11 1pfl n GLN 138 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79