#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 1.76 0.24 0.00 0.00 -1.26 -5.04 105.19 100.89 1pfl n GLY 2 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 0.38 0.00 1.61 -0.00 -2.00 -0.22 115.95 115.72 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 -0.07 -0.00 0.00 -0.00 0.00 0.00 29.16 29.09 1pfl h TRP 3 CO 0.00 0.07 -0.00 -0.91 -0.00 0.00 0.00 178.44 177.59 1pfl h ASN 4 N 0.39 0.00 0.20 -3.49 4.21 -1.94 0.20 115.58 115.14 1pfl h ASN 4 Ca 0.33 0.00 -0.25 0.00 1.21 0.00 0.00 56.30 57.59 1pfl h ASN 4 Cb 0.45 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.66 1pfl h ASN 4 CO -0.35 0.00 -1.02 0.00 -1.29 0.00 0.00 177.43 174.77 1pfl h ALA 5 N 2.00 0.23 0.00 -0.83 0.00 -1.45 0.27 119.26 119.48 1pfl h ALA 5 Ca -0.00 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1pfl h ALA 5 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1pfl h ALA 5 CO 0.00 0.76 0.00 0.66 0.00 0.00 0.00 179.25 180.67 1pfl n TYR 6 N -3.78 0.26 -0.01 0.00 4.01 -0.02 -0.36 117.16 117.25 1pfl n TYR 6 Ca -0.09 0.09 -0.06 0.00 -0.16 0.00 0.00 57.90 57.68 1pfl n TYR 6 Cb 0.87 -0.65 -0.12 0.00 -0.31 0.00 0.00 39.34 39.13 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 -1.73 1.46 0.30 -0.72 2.08 -0.71 -3.43 119.36 116.62 1pfl n ILE 7 Ca 0.04 -0.77 0.19 0.00 0.56 0.00 0.00 62.75 62.77 1pfl n ILE 7 Cb 0.23 -0.91 0.96 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 -0.26 4.38 5.19 0.25 -1.72 116.42 124.26 1pfl h ASP 8 Ca -0.26 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.21 1pfl h ASP 8 Cb 1.89 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 41.34 1pfl h ASP 8 CO 0.07 0.00 -0.13 -1.13 -3.12 0.00 0.00 179.24 174.93 1pfl h ASN 9 N 0.00 -0.43 -0.90 6.45 -1.24 -1.38 0.38 115.58 118.46 1pfl h ASN 9 Ca 0.00 0.10 0.04 0.00 0.71 0.00 0.00 56.30 57.16 1pfl h ASN 9 Cb 0.12 0.24 -0.05 0.00 0.73 0.00 0.00 38.32 39.36 1pfl h ASN 9 CO 0.00 -0.16 0.59 -0.07 -1.29 0.00 0.00 177.43 176.50 1pfl h LEU 10 N -0.09 0.96 0.04 0.34 -0.00 -1.52 0.48 115.31 115.52 1pfl h LEU 10 Ca 0.14 -0.01 -0.24 0.00 -0.00 0.00 0.00 57.88 57.77 1pfl h LEU 10 Cb 0.30 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.74 1pfl h LEU 10 CO -0.32 0.65 -1.11 0.24 -0.00 0.00 0.00 178.44 177.89 1pfl h MET 11 N 1.11 0.16 -0.00 1.13 2.86 -1.26 -3.20 114.93 115.73 1pfl h MET 11 Ca 0.37 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1pfl h MET 11 Cb 0.06 0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1pfl h MET 11 CO -0.12 1.11 -0.13 0.00 1.06 0.00 0.00 176.91 178.83 1pfl n ALA 12 N -2.46 2.77 1.11 6.32 0.00 0.12 -4.25 120.51 124.13 1pfl n ALA 12 Ca -0.05 -0.25 0.12 0.00 0.00 0.00 0.00 53.44 53.27 1pfl n ALA 12 Cb 0.97 -1.34 0.18 0.00 0.00 0.00 0.00 19.45 19.26 1pfl n ALA 12 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pfl n ASP 13 N -1.11 2.32 -2.65 0.00 5.68 0.16 -4.96 116.55 115.99 1pfl n ASP 13 Ca 0.12 -1.70 -0.16 0.00 -0.50 0.00 0.00 54.79 52.56 1pfl n ASP 13 Cb 0.29 0.13 -0.03 0.00 -1.14 0.00 0.00 41.12 40.36 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 1.33 -0.15 0.00 6.12 0.00 -1.26 -4.24 105.19 106.99 1pfl n GLY 14 Ca 0.14 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 -1.84 0.00 -0.87 2.61 -1.04 -1.26 -4.97 114.28 106.90 1pfl n THR 15 Ca 0.05 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.99 1pfl n THR 15 Cb 0.17 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 68.73 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 -1.95 0.00 -4.69 0.00 0.00 -0.46 -4.25 117.38 106.02 1pfl n GLN 17 Ca 0.03 0.00 -0.31 0.00 -0.00 0.00 0.00 57.00 56.72 1pfl n GLN 17 Cb 0.13 -0.02 -0.07 0.00 0.00 0.00 0.00 30.24 30.27 1pfl n GLN 17 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1pfl s ASP 18 N -3.14 3.72 -0.29 1.69 2.15 -0.29 -4.91 116.67 115.59 1pfl s ASP 18 Ca 0.00 -1.71 -0.16 0.00 0.43 0.00 0.00 52.55 51.11 1pfl s ASP 18 Cb 0.00 0.63 0.16 0.00 -0.30 0.00 0.00 42.92 43.41 1pfl s ASP 18 CO 0.00 -0.94 1.03 0.00 -0.17 0.00 0.00 175.17 175.09 1pfl s ALA 19 N -3.00 -2.39 -0.21 3.66 0.00 -1.26 -1.52 121.76 117.04 1pfl s ALA 19 Ca 0.09 2.15 -0.04 0.00 0.00 0.00 0.00 51.96 54.16 1pfl s ALA 19 Cb 0.01 -1.80 0.09 0.00 0.00 0.00 0.00 23.12 21.43 1pfl s ALA 19 CO 0.06 -0.40 0.21 0.00 0.00 0.00 0.00 175.76 175.62 1pfl s ALA 20 N 1.40 -0.17 -0.18 0.00 0.00 -0.12 -1.78 121.76 120.91 1pfl s ALA 20 Ca -0.08 0.08 -0.26 0.00 0.00 0.00 0.00 51.96 51.70 1pfl s ALA 20 Cb -0.04 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.74 1pfl s ALA 20 CO -0.14 -1.27 0.89 0.42 0.00 0.00 0.00 175.76 175.66 1pfl s ILE 21 N 2.30 4.83 -0.09 0.00 1.01 -0.81 -0.72 121.20 127.72 1pfl s ILE 21 Ca 0.07 1.74 -0.00 0.00 0.00 0.00 0.00 60.65 62.45 1pfl s ILE 21 Cb -0.16 -4.18 0.02 0.00 0.01 0.00 0.00 42.46 38.15 1pfl s ILE 21 CO -0.15 -0.02 -0.06 -0.69 0.00 0.00 0.00 174.94 174.02 1pfl s VAL 22 N 2.40 0.84 -1.16 2.92 1.01 -0.13 -0.97 120.40 125.31 1pfl s VAL 22 Ca 0.40 -0.20 -0.22 0.00 0.00 0.00 0.00 61.98 61.96 1pfl s VAL 22 Cb -0.16 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 1pfl s VAL 22 CO 0.11 0.33 1.83 -0.83 0.00 0.00 0.00 175.10 176.54 1pfl s GLY 23 N 1.54 0.72 0.00 4.51 0.00 0.68 -1.35 107.32 113.43 1pfl s GLY 23 Ca 0.01 -2.30 0.00 0.00 0.00 0.00 0.00 44.72 42.43 1pfl s GLY 23 CO -0.05 3.21 0.79 1.58 0.00 0.00 0.00 173.10 178.63 1pfl n TYR 24 N 11.98 0.00 0.00 1.90 4.11 -1.26 -1.10 117.16 132.78 1pfl n TYR 24 Ca 0.44 -0.32 0.00 0.00 -0.00 0.00 0.00 57.90 58.02 1pfl n TYR 24 Cb 0.47 -0.19 0.00 0.00 -0.00 0.00 0.00 39.34 39.62 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 0.37 1.18 -0.13 -3.48 4.01 -1.26 -4.71 118.16 114.14 1pfl n LYS 25 Ca 0.00 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.71 1pfl n LYS 25 Cb 0.39 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 34.88 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 -1.32 -3.55 4.39 2.03 -2.00 -3.27 116.42 112.69 1pfl h ASP 26 Ca 0.00 0.21 -0.71 0.00 -0.73 0.00 0.00 57.03 55.80 1pfl h ASP 26 Cb 0.00 0.59 -0.23 0.00 -0.83 0.00 0.00 39.33 38.87 1pfl h ASP 26 CO 0.00 -0.35 -0.48 -0.94 -1.03 0.00 0.00 179.24 176.44 1pfl s SER 27 N -5.07 5.91 0.63 4.15 1.04 -1.26 -4.99 113.70 114.11 1pfl s SER 27 Ca -0.15 -0.91 -0.13 0.00 0.48 0.00 0.00 55.95 55.24 1pfl s SER 27 Cb 0.12 -2.09 -0.02 0.00 0.10 0.00 0.00 66.02 64.13 1pfl s SER 27 CO 0.66 -0.40 1.05 -2.16 0.98 0.00 0.00 173.24 173.37 1pfl s PRO 28 N 1.62 3.23 0.17 4.02 0.04 -1.24 -4.78 135.00 138.07 1pfl s PRO 28 Ca 0.04 1.05 -0.24 0.00 0.04 0.00 0.00 61.00 61.88 1pfl s PRO 28 Cb -0.19 -2.03 0.06 0.00 0.04 0.00 0.00 34.50 32.38 1pfl s PRO 28 CO 0.08 -0.87 0.79 -1.54 0.04 0.00 0.00 177.00 175.50 1pfl s SER 29 N -3.33 -0.33 -0.51 6.66 1.04 -0.26 -4.86 113.70 112.11 1pfl s SER 29 Ca 0.60 -0.31 -0.17 0.00 0.48 0.00 0.00 55.95 56.56 1pfl s SER 29 Cb -0.14 0.57 0.09 0.00 0.10 0.00 0.00 66.02 66.64 1pfl s SER 29 CO 0.45 -1.01 0.49 -0.69 0.98 0.00 0.00 173.24 173.46 1pfl s VAL 30 N -3.57 5.13 0.18 5.02 1.01 -1.26 -0.23 120.40 126.69 1pfl s VAL 30 Ca 0.08 -1.12 0.31 0.00 0.00 0.00 0.00 61.98 61.25 1pfl s VAL 30 Cb -0.03 -4.26 0.34 0.00 0.00 0.00 0.00 36.38 32.43 1pfl s VAL 30 CO -0.02 -0.76 1.97 -0.50 0.00 0.00 0.00 175.10 175.79 1pfl h TRP 31 N 8.88 0.00 0.00 5.22 4.06 -1.36 -3.42 115.95 129.32 1pfl h TRP 31 Ca -0.29 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.66 1pfl h TRP 31 Cb 1.10 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.26 1pfl h TRP 31 CO 0.70 0.08 0.00 0.00 -3.56 0.00 0.00 178.44 175.67 1pfl n ALA 32 N -2.15 0.00 -2.62 1.49 0.00 -0.60 -4.92 120.51 111.71 1pfl n ALA 32 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1pfl n ALA 32 Cb 0.32 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.62 1pfl n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pfl s ALA 33 N 0.00 2.30 -0.59 0.00 0.00 -1.26 -1.93 121.76 120.28 1pfl s ALA 33 Ca 0.00 -1.04 -0.32 0.00 0.00 0.00 0.00 51.96 50.60 1pfl s ALA 33 Cb 0.00 -0.75 -0.14 0.00 0.00 0.00 0.00 23.12 22.23 1pfl s ALA 33 CO 0.00 0.46 2.41 0.28 0.00 0.00 0.00 175.76 178.90 1pfl n VAL 34 N 2.75 0.04 -2.20 0.00 0.31 -0.73 -4.71 118.33 113.79 1pfl n VAL 34 Ca -0.17 -0.32 -0.35 0.00 -0.01 0.00 0.00 64.34 63.49 1pfl n VAL 34 Cb 0.52 -1.57 0.01 0.00 -0.91 0.00 0.00 33.84 31.89 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 7.64 3.30 0.00 5.55 0.04 -1.26 -3.48 135.00 146.79 1pfl s PRO 35 Ca 1.15 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.75 1pfl s PRO 35 Cb -0.82 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 31.72 1pfl s PRO 35 CO 0.43 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 177.00 1pfl n GLY 36 N 0.03 2.72 0.00 0.56 0.00 -1.26 -4.96 105.19 102.29 1pfl n GLY 36 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.23 -5.07 118.16 116.23 1pfl n LYS 37 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1pfl n LYS 37 Cb 0.00 -0.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.94 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 -0.71 0.00 -0.30 -0.18 -1.04 -1.26 -4.99 114.28 105.79 1pfl n THR 38 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 1pfl n THR 38 Cb 0.00 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 68.59 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 1.03 -0.04 -1.42 -1.00 -1.86 -2.11 116.94 111.55 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 -0.35 -0.00 0.00 3.61 0.00 0.00 35.95 39.21 1pfl h PHE 39 CO 0.00 0.65 0.22 -0.24 -1.61 0.00 0.00 178.31 177.33 1pfl h VAL 40 N 1.11 0.07 -0.55 -0.55 3.04 -1.84 0.48 116.25 118.01 1pfl h VAL 40 Ca 0.30 0.00 -0.26 0.00 -1.01 0.00 0.00 66.70 65.73 1pfl h VAL 40 Cb -0.12 0.79 -0.16 0.00 -2.01 0.00 0.00 31.29 29.79 1pfl h VAL 40 CO -0.06 0.00 0.33 0.59 -1.01 0.00 0.00 177.57 177.42 1pfl n ASN 41 N -3.09 3.48 -4.79 3.17 5.03 -0.79 -4.72 115.26 113.55 1pfl n ASN 41 Ca -0.01 -2.88 -0.34 0.00 0.87 0.00 0.00 54.58 52.21 1pfl n ASN 41 Cb 0.29 -0.69 -0.02 0.00 -1.02 0.00 0.00 39.78 38.35 1pfl n ASN 41 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1pfl s ILE 42 N -1.93 3.51 0.33 2.41 1.01 0.17 -4.62 121.20 122.08 1pfl s ILE 42 Ca 0.33 0.94 0.06 0.00 0.00 0.00 0.00 60.65 61.98 1pfl s ILE 42 Cb 0.27 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.33 1pfl s ILE 42 CO 0.07 -0.21 0.24 0.42 0.00 0.00 0.00 174.94 175.46 1pfl s THR 43 N -1.89 0.09 -2.00 2.92 -4.23 -1.26 -4.79 115.64 104.48 1pfl s THR 43 Ca 0.70 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.33 1pfl s THR 43 Cb -0.20 -2.48 0.35 0.00 1.34 0.00 0.00 72.50 71.52 1pfl s THR 43 CO 0.23 0.00 1.17 -0.81 -0.54 0.00 0.00 174.62 174.67 1pfl n PRO 44 N -0.63 0.48 -0.02 3.99 -0.04 -1.26 -1.89 135.00 135.63 1pfl n PRO 44 Ca 0.05 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.50 1pfl n PRO 44 Cb 0.63 -1.40 -0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 2.77 0.00 -0.78 0.55 0.00 -1.95 0.32 119.26 120.17 1pfl h ALA 45 Ca 0.00 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.75 1pfl h ALA 45 Cb 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1pfl h ALA 45 CO 0.00 0.13 0.51 1.05 0.00 0.00 0.00 179.25 180.94 1pfl h GLU 46 N -0.36 0.73 0.00 0.00 9.09 -1.76 0.24 114.58 122.52 1pfl h GLU 46 Ca 0.00 -0.04 -0.20 0.00 0.05 0.00 0.00 59.36 59.16 1pfl h GLU 46 Cb 0.13 -0.17 -0.03 0.00 -1.65 0.00 0.00 28.75 27.03 1pfl h GLU 46 CO 0.00 0.49 -0.97 0.28 0.05 0.00 0.00 179.01 178.85 1pfl h VAL 47 N 0.76 1.69 -0.87 -1.06 2.07 -1.55 -2.91 116.25 114.38 1pfl h VAL 47 Ca 0.35 -3.35 0.24 0.00 0.82 0.00 0.00 66.70 64.77 1pfl h VAL 47 Cb 0.38 2.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.92 1pfl h VAL 47 CO -0.13 0.95 0.61 1.23 0.02 0.00 0.00 177.57 180.25 1pfl h GLY 48 N 2.96 0.26 0.08 2.17 0.00 0.31 0.21 103.07 109.06 1pfl h GLY 48 Ca -0.01 -0.05 -0.37 0.00 0.00 0.00 0.00 47.33 46.89 1pfl h GLY 48 CO 0.13 -0.01 -2.37 1.55 0.00 0.00 0.00 176.54 175.84 1pfl n VAL 49 N -4.35 1.45 0.30 4.60 3.14 -1.10 -0.64 118.33 121.73 1pfl n VAL 49 Ca 0.18 -0.75 0.12 0.00 -2.96 0.00 0.00 64.34 60.93 1pfl n VAL 49 Cb 0.86 -0.87 0.55 0.00 -1.06 0.00 0.00 33.84 33.32 1pfl n VAL 49 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1pfl n LEU 50 N -2.97 0.66 0.00 6.55 4.77 -0.77 -3.89 117.00 121.35 1pfl n LEU 50 Ca -0.37 0.72 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1pfl n LEU 50 Cb 1.09 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1pfl n LEU 50 CO 0.37 -0.75 0.00 1.33 -1.33 0.00 0.00 177.39 177.01 1pfl n VAL 51 N -2.29 0.00 0.00 4.08 0.24 -0.01 -5.03 118.33 115.32 1pfl n VAL 51 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1pfl n VAL 51 Cb 0.15 0.51 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 1pfl n VAL 51 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pfl n GLY 52 N 0.00 -2.88 0.00 7.63 0.00 0.19 -4.59 105.19 105.54 1pfl n GLY 52 Ca 0.00 -0.57 0.07 0.00 0.00 0.00 0.00 46.02 45.52 1pfl n GLY 52 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1pfl n LYS 53 N 0.00 0.42 0.00 1.61 2.85 -1.26 -4.93 118.16 116.85 1pfl n LYS 53 Ca 0.00 0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 1pfl n LYS 53 Cb 0.00 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.88 1pfl n LYS 53 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1pfl n ASP 54 N -1.05 0.00 0.00 -5.58 2.03 -1.26 -4.72 116.55 105.97 1pfl n ASP 54 Ca 0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1pfl n ASP 54 Cb 0.06 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 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 0.00 0.00 0.00 -0.67 3.00 -1.26 -5.00 116.66 112.74 1pfl n ARG 55 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1pfl n ARG 55 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1pfl n ARG 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1pfl n SER 56 N 0.00 -0.04 0.00 6.15 2.88 -1.26 -5.08 113.62 116.27 1pfl n SER 56 Ca 0.00 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1pfl n SER 56 Cb 0.00 0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 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 -2.21 0.00 0.25 -3.46 3.41 -1.26 -3.16 113.62 107.19 1pfl n SER 57 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1pfl n SER 57 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.26 7.33 1.16 -1.26 -2.06 117.46 122.89 1pfl n PHE 58 Ca 0.00 0.00 0.14 0.00 -1.87 0.00 0.00 57.45 55.72 1pfl n PHE 58 Cb 0.00 0.00 0.73 0.00 -1.61 0.00 0.00 39.48 38.60 1pfl n PHE 58 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 1pfl h TYR 59 N 0.00 0.00 0.06 2.97 0.05 -1.91 0.20 116.97 118.34 1pfl h TYR 59 Ca 0.00 0.00 -0.36 0.00 0.05 0.00 0.00 58.73 58.42 1pfl h TYR 59 Cb 1.60 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 39.30 1pfl h TYR 59 CO 0.00 0.00 -2.03 1.33 -1.05 0.00 0.00 178.16 176.41 1pfl n VAL 60 N -2.58 1.64 -0.07 -2.88 0.24 -0.88 -4.61 118.33 109.19 1pfl n VAL 60 Ca -0.02 -0.48 -0.07 0.00 -2.04 0.00 0.00 64.34 61.74 1pfl n VAL 60 Cb 0.24 -1.74 -0.03 0.00 -1.47 0.00 0.00 33.84 30.83 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 -0.28 0.00 -4.31 -1.34 7.08 -1.43 -3.48 115.58 111.81 1pfl h ASN 61 Ca -0.48 -0.12 0.00 0.00 -3.08 0.00 0.00 56.30 52.62 1pfl h ASN 61 Cb 1.81 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.05 1pfl h ASN 61 CO -0.07 0.83 0.00 0.61 -2.08 0.00 0.00 177.43 176.71 1pfl n GLY 62 N 1.62 4.23 0.00 9.14 0.00 0.60 -4.61 105.19 116.17 1pfl n GLY 62 Ca -0.10 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.64 0.99 4.77 0.24 -4.74 117.00 114.62 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 -0.00 0.40 0.42 -1.33 0.00 0.00 177.39 176.88 1pfl s THR 64 N 0.00 0.00 -0.23 -5.08 -4.23 -1.26 -2.21 115.64 102.63 1pfl s THR 64 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.47 1pfl s THR 64 Cb 0.00 -1.00 0.08 0.00 1.34 0.00 0.00 72.50 72.92 1pfl s THR 64 CO 0.00 0.00 0.09 -1.48 -0.54 0.00 0.00 174.62 172.69 1pfl s LEU 65 N 1.48 0.88 -0.19 4.79 0.05 -0.87 -4.21 118.68 120.61 1pfl s LEU 65 Ca -0.09 -0.98 0.00 0.00 0.05 0.00 0.00 54.13 53.11 1pfl s LEU 65 Cb -0.05 -0.45 0.00 0.00 -2.05 0.00 0.00 46.19 43.64 1pfl s LEU 65 CO -0.17 -0.37 0.00 0.61 -0.55 0.00 0.00 176.35 175.87 1pfl n GLY 66 N 5.15 0.48 1.32 -3.48 0.00 -1.26 -2.65 105.19 104.75 1pfl n GLY 66 Ca -0.07 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.43 0.65 3.22 -0.02 0.00 -1.26 -4.75 105.19 100.59 1pfl n GLY 67 Ca -0.02 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.59 2.42 -0.07 1.61 2.00 -1.08 -5.06 119.66 118.89 1pfl s GLN 68 Ca 0.00 -1.46 -0.29 0.00 -2.00 0.00 0.00 55.36 51.60 1pfl s GLN 68 Cb 0.00 -3.56 -0.07 0.00 0.80 0.00 0.00 33.01 30.18 1pfl s GLN 68 CO 0.00 -0.87 1.95 0.21 -0.50 0.00 0.00 175.29 176.08 1pfl s LYS 69 N 1.32 3.84 0.16 1.67 2.20 -1.26 -2.06 119.74 125.61 1pfl s LYS 69 Ca 0.02 2.29 0.07 0.00 -0.36 0.00 0.00 55.97 57.98 1pfl s LYS 69 Cb -0.22 -4.18 -0.04 0.00 -1.51 0.00 0.00 37.83 31.88 1pfl s LYS 69 CO 0.00 -1.29 0.00 0.00 -0.36 0.00 0.00 175.35 173.70 1pfl s SER 71 N -2.86 3.56 -0.26 0.00 1.04 0.42 0.82 113.70 116.41 1pfl s SER 71 Ca 0.27 -0.54 -0.36 0.00 0.48 0.00 0.00 55.95 55.80 1pfl s SER 71 Cb -0.10 -1.57 -0.12 0.00 0.10 0.00 0.00 66.02 64.33 1pfl s SER 71 CO 0.19 0.01 1.99 0.52 0.98 0.00 0.00 173.24 176.93 1pfl n VAL 72 N 4.57 0.33 -3.02 5.02 0.31 -1.26 -1.71 118.33 122.57 1pfl n VAL 72 Ca -0.20 -0.17 -0.33 0.00 -0.01 0.00 0.00 64.34 63.63 1pfl n VAL 72 Cb 0.51 -1.61 -0.03 0.00 -0.91 0.00 0.00 33.84 31.80 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 5.98 3.98 0.00 2.52 -0.00 0.29 -4.89 119.36 127.24 1pfl n ILE 73 Ca 0.32 -5.65 0.00 0.00 -0.00 0.00 0.00 62.75 57.43 1pfl n ILE 73 Cb 0.22 -1.75 0.00 0.00 -0.00 0.00 0.00 39.64 38.11 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 0.38 0.00 -3.45 0.38 1.74 -1.24 -3.54 116.66 110.92 1pfl n ARG 74 Ca 0.33 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 57.15 1pfl n ARG 74 Cb 0.36 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.68 1pfl n ARG 74 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1pfl s ASP 75 N 0.00 2.65 -0.31 0.55 2.15 -1.26 -0.89 116.67 119.56 1pfl s ASP 75 Ca 0.00 -1.82 0.07 0.00 0.43 0.00 0.00 52.55 51.23 1pfl s ASP 75 Cb 0.00 -0.15 0.46 0.00 -0.30 0.00 0.00 42.92 42.92 1pfl s ASP 75 CO 0.00 -0.33 1.17 -1.20 -0.17 0.00 0.00 175.17 174.65 1pfl n SER 76 N 4.37 4.80 0.10 -0.34 7.64 -0.85 -4.91 113.62 124.43 1pfl n SER 76 Ca 0.08 -3.70 -0.04 0.00 1.01 0.00 0.00 58.87 56.22 1pfl n SER 76 Cb 0.40 -0.36 -0.02 0.00 -1.01 0.00 0.00 64.21 63.22 1pfl n SER 76 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1pfl h LEU 77 N 2.25 -0.22 -4.87 -3.43 5.85 -1.70 1.18 115.31 114.37 1pfl h LEU 77 Ca 0.34 0.01 -0.67 0.00 0.84 0.00 0.00 57.88 58.40 1pfl h LEU 77 Cb 1.44 0.06 -0.35 0.00 0.37 0.00 0.00 40.66 42.17 1pfl h LEU 77 CO 0.76 -0.10 0.09 0.00 -0.34 0.00 0.00 178.44 178.84 1pfl n LEU 78 N -3.02 5.96 0.00 2.25 -0.00 -1.26 -3.37 117.00 117.56 1pfl n LEU 78 Ca -0.03 -5.12 0.00 0.00 -0.00 0.00 0.00 56.01 50.86 1pfl n LEU 78 Cb 0.10 -0.75 0.00 0.00 -0.00 0.00 0.00 43.42 42.78 1pfl n LEU 78 CO 0.08 2.05 0.00 0.00 -0.00 0.00 0.00 177.39 179.52 1pfl n GLN 79 N -0.46 0.00 -2.80 1.47 10.64 -1.26 -5.01 117.38 119.96 1pfl n GLN 79 Ca 0.45 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 55.22 1pfl n GLN 79 Cb 0.45 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.84 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 0.00 6.72 0.00 2.61 2.03 -1.26 -4.82 116.55 121.83 1pfl n ASP 80 Ca 0.00 -3.60 0.00 0.00 0.52 0.00 0.00 54.79 51.71 1pfl n ASP 80 Cb 0.00 -1.13 0.00 0.00 -0.72 0.00 0.00 41.12 39.27 1pfl n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pfl n GLY 81 N 0.36 2.49 0.19 0.27 0.00 -1.26 -4.83 105.19 102.41 1pfl n GLY 81 Ca 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.34 1pfl n GLY 81 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pfl h GLU 82 N 1.24 -0.41 0.00 1.61 4.39 -1.88 -3.46 114.58 116.06 1pfl h GLU 82 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1pfl h GLU 82 Cb 0.00 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1pfl h GLU 82 CO 0.00 -0.27 0.00 1.19 -1.16 0.00 0.00 179.01 178.77 1pfl n PHE 83 N -4.13 0.00 -2.82 4.33 3.72 0.40 -4.81 117.46 114.15 1pfl n PHE 83 Ca -0.05 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.93 1pfl n PHE 83 Cb 0.17 -1.34 -0.03 0.00 -0.94 0.00 0.00 39.48 37.33 1pfl n PHE 83 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1pfl s SER 84 N -2.04 7.07 -0.04 4.37 1.04 -0.89 -2.34 113.70 120.87 1pfl s SER 84 Ca 0.00 1.31 -0.01 0.00 0.48 0.00 0.00 55.95 57.73 1pfl s SER 84 Cb 0.00 -2.49 0.03 0.00 0.10 0.00 0.00 66.02 63.66 1pfl s SER 84 CO 0.00 -0.40 0.06 -0.32 0.98 0.00 0.00 173.24 173.56 1pfl s MET 85 N 2.00 -0.03 0.18 4.02 0.00 -0.34 -2.02 119.30 123.11 1pfl s MET 85 Ca 0.42 0.28 -0.07 0.00 0.00 0.00 0.00 55.69 56.33 1pfl s MET 85 Cb -0.17 -0.31 -0.06 0.00 0.00 0.00 0.00 34.83 34.29 1pfl s MET 85 CO 0.15 -0.22 0.45 -0.51 0.00 0.00 0.00 175.02 174.89 1pfl s ASP 86 N 1.44 6.55 -0.23 1.11 1.11 -0.06 -0.14 116.67 126.44 1pfl s ASP 86 Ca -0.05 0.73 -0.12 0.00 0.18 0.00 0.00 52.55 53.29 1pfl s ASP 86 Cb -0.13 -2.15 0.07 0.00 1.07 0.00 0.00 42.92 41.79 1pfl s ASP 86 CO -0.04 0.00 0.56 -1.48 1.18 0.00 0.00 175.17 175.40 1pfl s LEU 87 N -2.71 -0.60 0.12 1.23 -0.00 -0.75 0.10 118.68 116.07 1pfl s LEU 87 Ca 0.44 1.25 0.08 0.00 -0.00 0.00 0.00 54.13 55.89 1pfl s LEU 87 Cb -0.12 1.92 -0.04 0.00 -0.00 0.00 0.00 46.19 47.95 1pfl s LEU 87 CO 0.23 -0.22 -0.20 0.00 -0.00 0.00 0.00 176.35 176.16 1pfl s ARG 88 N 1.66 1.18 -0.99 1.48 1.70 -0.70 -1.80 118.95 121.49 1pfl s ARG 88 Ca -0.09 -1.25 -0.23 0.00 -0.47 0.00 0.00 55.73 53.68 1pfl s ARG 88 Cb -0.07 -1.37 0.02 0.00 -0.57 0.00 0.00 34.95 32.95 1pfl s ARG 88 CO -0.17 0.30 1.63 0.95 -1.08 0.00 0.00 175.30 176.94 1pfl s THR 89 N -1.48 3.76 -0.12 4.99 -4.23 -0.77 -0.44 115.64 117.35 1pfl s THR 89 Ca 0.10 -0.67 -0.28 0.00 -1.18 0.00 0.00 61.69 59.66 1pfl s THR 89 Cb -0.08 -4.71 -0.01 0.00 1.34 0.00 0.00 72.50 69.03 1pfl s THR 89 CO 0.05 -1.60 0.94 -0.54 -0.54 0.00 0.00 174.62 172.93 1pfl s LYS 90 N 5.65 4.39 0.76 3.99 1.02 -1.26 -2.83 119.74 131.46 1pfl s LYS 90 Ca 0.54 1.25 -0.04 0.00 0.02 0.00 0.00 55.97 57.75 1pfl s LYS 90 Cb -0.02 -3.55 0.14 0.00 -0.52 0.00 0.00 37.83 33.88 1pfl s LYS 90 CO -0.06 -0.29 1.05 0.45 -0.92 0.00 0.00 175.35 175.58 1pfl s SER 91 N 1.09 4.14 0.06 2.83 0.15 -1.26 -5.01 113.70 115.69 1pfl s SER 91 Ca 0.45 -0.23 0.05 0.00 0.70 0.00 0.00 55.95 56.92 1pfl s SER 91 Cb -0.18 -0.09 -0.23 0.00 -1.71 0.00 0.00 66.02 63.81 1pfl s SER 91 CO 0.16 -2.01 1.05 0.71 1.20 0.00 0.00 173.24 174.35 1pfl h THR 92 N -0.73 1.40 0.00 6.45 1.35 -1.90 -3.48 112.91 116.00 1pfl h THR 92 Ca -0.38 -3.12 0.00 0.00 -0.55 0.00 0.00 66.41 62.36 1pfl h THR 92 Cb 1.26 2.75 0.00 0.00 -1.73 0.00 0.00 68.15 70.43 1pfl h THR 92 CO 0.40 0.83 0.00 0.61 -0.25 0.00 0.00 175.52 177.12 1pfl n GLY 93 N 1.47 1.94 0.06 5.82 0.00 -1.26 -4.89 105.19 108.33 1pfl n GLY 93 Ca -0.07 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.47 3.93 -0.02 0.00 -1.26 -4.89 105.19 101.48 1pfl n GLY 94 Ca 0.00 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.13 3.15 0.33 4.61 0.00 -1.26 -5.09 121.76 120.37 1pfl s ALA 95 Ca 0.08 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1pfl s ALA 95 Cb 0.14 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.65 1pfl s ALA 95 CO 0.68 -1.34 0.51 -1.25 0.00 0.00 0.00 175.76 174.35 1pfl s PRO 96 N -5.26 3.42 0.35 0.00 0.04 -1.26 -4.69 135.00 127.59 1pfl s PRO 96 Ca 0.61 -0.49 0.08 0.00 0.04 0.00 0.00 61.00 61.23 1pfl s PRO 96 Cb -0.10 -2.72 -0.07 0.00 0.04 0.00 0.00 34.50 31.65 1pfl s PRO 96 CO 0.45 0.18 -0.04 0.95 0.04 0.00 0.00 177.00 178.58 1pfl s THR 97 N -2.24 1.94 -0.28 1.26 -4.23 -1.26 -4.33 115.64 106.50 1pfl s THR 97 Ca 0.39 -2.11 0.01 0.00 -1.18 0.00 0.00 61.69 58.80 1pfl s THR 97 Cb -0.09 -2.71 0.16 0.00 1.34 0.00 0.00 72.50 71.19 1pfl s THR 97 CO 0.34 -0.15 0.41 -0.36 -0.54 0.00 0.00 174.62 174.33 1pfl s PHE 98 N -2.79 -1.02 0.26 3.99 0.08 -1.13 -4.40 117.98 112.97 1pfl s PHE 98 Ca 0.33 0.47 -0.30 0.00 0.12 0.00 0.00 56.93 57.55 1pfl s PHE 98 Cb 0.05 -0.09 -0.09 0.00 -0.57 0.00 0.00 43.02 42.32 1pfl s PHE 98 CO 0.16 -0.94 1.10 -0.80 -0.10 0.00 0.00 175.22 174.64 1pfl s ASN 99 N 2.56 7.26 0.17 1.36 0.01 0.52 -1.85 114.94 124.97 1pfl s ASN 99 Ca 0.10 2.23 0.06 0.00 -0.71 0.00 0.00 52.86 54.55 1pfl s ASN 99 Cb -0.13 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 38.87 1pfl s ASN 99 CO -0.27 -0.16 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.33 1pfl s VAL 100 N -0.95 1.49 0.23 1.60 1.01 -0.74 0.17 120.40 123.21 1pfl s VAL 100 Ca 0.46 -2.05 0.08 0.00 0.00 0.00 0.00 61.98 60.46 1pfl s VAL 100 Cb -0.31 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 1pfl s VAL 100 CO 0.40 -0.59 -0.13 -0.89 0.00 0.00 0.00 175.10 173.89 1pfl s THR 101 N -2.85 1.79 -0.20 3.92 2.01 0.12 -1.82 115.64 118.61 1pfl s THR 101 Ca 0.18 -2.21 -0.04 0.00 0.31 0.00 0.00 61.69 59.93 1pfl s THR 101 Cb -0.01 -2.18 0.10 0.00 0.01 0.00 0.00 72.50 70.42 1pfl s THR 101 CO 0.04 -0.50 0.30 -0.69 -0.69 0.00 0.00 174.62 173.08 1pfl s VAL 102 N -2.94 -0.46 -0.43 3.82 1.01 0.80 -1.58 120.40 120.62 1pfl s VAL 102 Ca 0.25 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 62.15 1pfl s VAL 102 Cb -0.00 -0.67 0.09 0.00 0.00 0.00 0.00 36.38 35.80 1pfl s VAL 102 CO 0.09 -0.08 0.28 0.42 0.00 0.00 0.00 175.10 175.81 1pfl s THR 103 N 2.44 4.27 -0.40 3.92 -4.23 -0.55 -1.20 115.64 119.89 1pfl s THR 103 Ca 0.07 -1.46 -0.21 0.00 -1.18 0.00 0.00 61.69 58.91 1pfl s THR 103 Cb -0.14 -3.65 0.01 0.00 1.34 0.00 0.00 72.50 70.06 1pfl s THR 103 CO -0.13 -0.56 0.69 -0.75 -0.54 0.00 0.00 174.62 173.33 1pfl s LYS 104 N 1.42 3.53 0.00 3.99 2.47 -0.99 -1.96 119.74 128.21 1pfl s LYS 104 Ca 0.04 -0.05 0.00 0.00 -1.56 0.00 0.00 55.97 54.39 1pfl s LYS 104 Cb -0.24 -3.87 0.00 0.00 -1.46 0.00 0.00 37.83 32.26 1pfl s LYS 104 CO 0.02 -0.90 0.00 0.25 0.16 0.00 0.00 175.35 174.88 1pfl n THR 105 N 5.79 0.00 -0.02 3.43 -2.24 -0.80 -4.69 114.28 115.75 1pfl n THR 105 Ca -0.00 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 1pfl n THR 105 Cb 0.48 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.58 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 2.07 -0.10 3.42 2.03 -1.26 -4.57 116.55 118.14 1pfl n ASP 106 Ca 0.00 0.15 0.03 0.00 0.52 0.00 0.00 54.79 55.49 1pfl n ASP 106 Cb 0.00 -0.76 0.04 0.00 -0.72 0.00 0.00 41.12 39.68 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 -3.43 1.43 -4.16 -0.67 5.02 -1.24 -5.05 118.16 110.06 1pfl n LYS 107 Ca -0.34 -1.56 -0.12 0.00 -2.02 0.00 0.00 58.31 54.27 1pfl n LYS 107 Cb 1.04 -0.98 -0.10 0.00 -0.02 0.00 0.00 35.03 34.97 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 -1.23 0.72 -0.44 -0.18 -4.23 -1.26 -4.43 115.64 104.59 1pfl s THR 108 Ca 0.10 -1.77 0.03 0.00 -1.18 0.00 0.00 61.69 58.87 1pfl s THR 108 Cb 0.09 -1.47 0.13 0.00 1.34 0.00 0.00 72.50 72.58 1pfl s THR 108 CO 0.01 -0.75 0.21 -0.22 -0.54 0.00 0.00 174.62 173.33 1pfl s LEU 109 N -2.74 3.36 0.07 4.79 0.20 -0.45 -1.90 118.68 122.01 1pfl s LEU 109 Ca 0.08 -2.60 -0.22 0.00 0.69 0.00 0.00 54.13 52.08 1pfl s LEU 109 Cb 0.02 -1.27 -0.06 0.00 -0.43 0.00 0.00 46.19 44.45 1pfl s LEU 109 CO -0.03 -0.28 0.65 -0.69 -0.29 0.00 0.00 176.35 175.71 1pfl s VAL 110 N 0.34 4.71 0.05 1.68 1.01 -0.83 -0.96 120.40 126.40 1pfl s VAL 110 Ca 0.16 1.40 0.07 0.00 0.00 0.00 0.00 61.98 63.61 1pfl s VAL 110 Cb -0.24 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 1pfl s VAL 110 CO -0.03 0.48 -0.19 -0.76 0.00 0.00 0.00 175.10 174.59 1pfl s LEU 111 N -0.67 2.19 -0.37 3.92 1.43 0.10 -1.47 118.68 123.80 1pfl s LEU 111 Ca 0.33 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1pfl s LEU 111 Cb -0.20 -0.87 0.12 0.00 0.03 0.00 0.00 46.19 45.27 1pfl s LEU 111 CO 0.21 0.12 0.18 -0.22 0.23 0.00 0.00 176.35 176.86 1pfl s LEU 112 N -1.26 2.22 0.26 1.79 2.96 -0.61 -0.95 118.68 123.08 1pfl s LEU 112 Ca 0.06 -2.16 0.04 0.00 -0.22 0.00 0.00 54.13 51.85 1pfl s LEU 112 Cb -0.09 -0.86 -0.03 0.00 0.50 0.00 0.00 46.19 45.71 1pfl s LEU 112 CO 0.02 -0.33 0.40 -0.32 -1.32 0.00 0.00 176.35 174.80 1pfl s MET 113 N 0.98 3.45 0.00 1.98 -2.45 -0.57 -0.70 119.30 121.98 1pfl s MET 113 Ca 0.15 -0.66 0.00 0.00 -1.25 0.00 0.00 55.69 53.92 1pfl s MET 113 Cb -0.21 -2.84 0.00 0.00 1.25 0.00 0.00 34.83 33.02 1pfl s MET 113 CO -0.10 0.37 0.00 0.41 1.05 0.00 0.00 175.02 176.75 1pfl n GLY 114 N -1.47 4.46 3.21 2.11 0.00 0.44 -1.14 105.19 112.81 1pfl n GLY 114 Ca -0.08 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.56 0.32 -0.59 1.61 1.02 -1.24 -0.36 119.74 116.94 1pfl s LYS 115 Ca 0.00 0.96 -0.03 0.00 0.02 0.00 0.00 55.97 56.92 1pfl s LYS 115 Cb 0.00 0.22 0.15 0.00 -0.52 0.00 0.00 37.83 37.68 1pfl s LYS 115 CO 0.00 -0.31 0.40 -2.00 -0.92 0.00 0.00 175.35 172.52 1pfl s GLU 116 N 2.60 2.47 0.00 1.68 2.56 -1.19 -4.58 118.70 122.24 1pfl s GLU 116 Ca 0.01 -2.43 0.00 0.00 0.00 0.00 0.00 54.97 52.55 1pfl s GLU 116 Cb -0.13 -3.70 0.00 0.00 2.00 0.00 0.00 34.13 32.30 1pfl s GLU 116 CO -0.13 -1.16 0.00 0.41 -0.56 0.00 0.00 175.26 173.82 1pfl n GLY 117 N 3.64 0.00 2.41 -1.50 0.00 -1.26 -4.84 105.19 103.63 1pfl n GLY 117 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.48 0.00 -0.13 1.61 3.14 -1.26 -4.97 118.33 115.24 1pfl n VAL 118 Ca 0.00 -0.38 -0.24 0.00 -2.96 0.00 0.00 64.34 60.76 1pfl n VAL 118 Cb 0.00 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 32.67 1pfl n VAL 118 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 1pfl n HIS 119 N -1.52 0.11 0.00 1.45 -0.00 -1.26 -5.04 115.22 108.96 1pfl n HIS 119 Ca 0.02 0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.24 1pfl n HIS 119 Cb 0.39 -1.01 0.00 0.00 -0.12 0.00 0.00 29.99 29.25 1pfl n HIS 119 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1pfl n GLY 120 N 1.75 1.25 0.00 1.57 0.00 -1.26 -5.01 105.19 103.49 1pfl n GLY 120 Ca -0.49 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 2.70 2.98 0.16 -0.02 0.00 -1.26 -4.89 105.19 104.85 1pfl n GLY 121 Ca 0.00 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 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 0.78 -0.93 0.99 3.38 -1.98 -1.81 115.31 115.73 1pfl h LEU 122 Ca 0.00 -0.74 -0.08 0.00 0.09 0.00 0.00 57.88 57.16 1pfl h LEU 122 Cb 0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1pfl h LEU 122 CO 0.00 1.55 -0.05 0.40 0.09 0.00 0.00 178.44 180.43 1pfl h ILE 123 N 0.23 1.24 0.00 1.22 2.04 -1.96 0.56 117.51 120.84 1pfl h ILE 123 Ca -0.18 -1.04 -0.03 0.00 1.00 0.00 0.00 64.86 64.61 1pfl h ILE 123 Cb 1.92 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 38.96 1pfl h ILE 123 CO 0.23 0.36 -0.15 -1.13 0.00 0.00 0.00 178.15 177.46 1pfl h ASN 124 N 0.68 0.00 0.68 1.72 -1.24 -1.88 0.14 115.58 115.68 1pfl h ASN 124 Ca 0.13 0.00 -0.27 0.00 0.71 0.00 0.00 56.30 56.87 1pfl h ASN 124 Cb 0.49 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.53 1pfl h ASN 124 CO 0.02 0.15 -1.25 0.11 -1.29 0.00 0.00 177.43 175.17 1pfl h LYS 125 N 0.00 0.20 0.00 6.67 1.79 -0.20 -2.59 116.57 122.44 1pfl h LYS 125 Ca -0.00 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 1pfl h LYS 125 Cb 0.28 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1pfl h LYS 125 CO 0.02 1.13 -0.21 0.87 -1.08 0.00 0.00 179.45 180.18 1pfl h LYS 126 N 0.05 0.00 0.02 3.15 6.56 -0.29 -2.65 116.57 123.41 1pfl h LYS 126 Ca -0.13 0.00 -0.30 0.00 -1.06 0.00 0.00 60.65 59.16 1pfl h LYS 126 Cb 1.93 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 33.55 1pfl h LYS 126 CO 0.18 0.00 -1.72 0.00 -2.06 0.00 0.00 179.45 175.85 1pfl h TYR 128 N 0.01 0.01 0.13 0.00 3.20 -1.47 -1.18 116.97 117.67 1pfl h TYR 128 Ca -0.29 -0.00 -0.31 0.00 3.14 0.00 0.00 58.73 61.27 1pfl h TYR 128 Cb 2.01 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 40.27 1pfl h TYR 128 CO 0.01 0.47 -1.53 0.93 -1.64 0.00 0.00 178.16 176.41 1pfl h GLU 129 N 0.00 0.27 -0.48 1.82 4.39 -1.51 -0.75 114.58 118.32 1pfl h GLU 129 Ca -0.00 -0.46 0.01 0.00 0.34 0.00 0.00 59.36 59.25 1pfl h GLU 129 Cb 0.83 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.62 1pfl h GLU 129 CO 0.06 1.14 0.31 1.98 -1.16 0.00 0.00 179.01 181.34 1pfl h MET 130 N 0.07 0.60 0.00 2.33 4.05 -1.05 -0.62 114.93 120.32 1pfl h MET 130 Ca -0.24 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.14 1pfl h MET 130 Cb 2.02 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 32.69 1pfl h MET 130 CO 0.17 0.40 -0.00 0.00 0.23 0.00 0.00 176.91 177.70 1pfl h ALA 131 N 1.20 1.00 -0.09 0.39 0.00 -1.31 -3.03 119.26 117.42 1pfl h ALA 131 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1pfl h ALA 131 Cb -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1pfl h ALA 131 CO -0.06 0.00 -0.02 0.66 0.00 0.00 0.00 179.25 179.83 1pfl h SER 132 N 0.00 0.11 0.26 0.00 4.64 0.46 0.57 113.55 119.59 1pfl h SER 132 Ca 0.00 -0.01 -0.34 0.00 -0.47 0.00 0.00 61.79 60.97 1pfl h SER 132 Cb 0.86 -0.03 0.04 0.00 -0.31 0.00 0.00 62.40 62.96 1pfl h SER 132 CO 0.00 0.16 -1.51 -0.74 -0.87 0.00 0.00 176.83 173.86 1pfl h HIS 133 N 0.12 0.97 0.00 4.77 2.76 -1.38 -1.82 115.15 120.57 1pfl h HIS 133 Ca 0.03 -0.71 0.00 0.00 -2.20 0.00 0.00 60.37 57.49 1pfl h HIS 133 Cb 0.12 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.05 1pfl h HIS 133 CO 0.00 1.58 0.00 1.28 -1.30 0.00 0.00 177.93 179.49 1pfl n LEU 134 N -3.71 0.00 -0.04 0.26 4.32 -0.52 0.12 117.00 117.43 1pfl n LEU 134 Ca -0.18 0.40 -0.17 0.00 -0.02 0.00 0.00 56.01 56.04 1pfl n LEU 134 Cb 1.11 -0.40 -0.14 0.00 -1.62 0.00 0.00 43.42 42.37 1pfl n LEU 134 CO 0.60 -0.21 -0.93 0.54 -1.22 0.00 0.00 177.39 176.17 1pfl n ARG 135 N -1.40 0.71 0.00 3.23 5.12 0.19 -3.60 116.66 120.90 1pfl n ARG 135 Ca 0.05 0.22 0.15 0.00 -1.93 0.00 0.00 57.85 56.34 1pfl n ARG 135 Cb 0.14 -1.66 0.78 0.00 -1.16 0.00 0.00 32.46 30.56 1pfl n ARG 135 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1pfl n ARG 136 N -3.29 0.71 0.18 5.56 5.12 -0.54 -2.92 116.66 121.48 1pfl n ARG 136 Ca -0.33 -0.09 0.10 0.00 -1.93 0.00 0.00 57.85 55.60 1pfl n ARG 136 Cb 1.04 -1.50 0.11 0.00 -1.16 0.00 0.00 32.46 30.96 1pfl n ARG 136 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1pfl h SER 137 N 0.21 0.00 -0.77 0.55 4.64 0.79 -3.48 113.55 115.50 1pfl h SER 137 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1pfl h SER 137 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1pfl h SER 137 CO 0.00 0.12 -0.14 1.67 -0.87 0.00 0.00 176.83 177.60 1pfl n GLN 138 N -3.07 -0.44 0.00 4.77 7.27 -1.15 -5.06 117.38 119.70 1pfl n GLN 138 Ca 0.03 0.29 0.12 0.00 0.07 0.00 0.00 57.00 57.51 1pfl n GLN 138 Cb 0.58 -4.09 0.13 0.00 2.41 0.00 0.00 30.24 29.26 1pfl n GLN 138 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79