#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 0.00 0.26 0.00 0.00 -1.26 -4.90 105.19 99.28 1pfl n GLY 2 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.09 -0.04 1.61 -0.00 -2.00 0.16 115.95 115.59 1pfl h TRP 3 Ca 0.00 0.05 0.01 0.00 -0.00 0.00 0.00 58.89 58.95 1pfl h TRP 3 Cb 0.00 0.15 -0.00 0.00 -0.00 0.00 0.00 29.16 29.31 1pfl h TRP 3 CO 0.00 -0.22 0.06 -2.95 -0.00 0.00 0.00 178.44 175.34 1pfl h ASN 4 N 0.09 0.00 0.07 -3.49 7.08 -1.92 0.28 115.58 117.69 1pfl h ASN 4 Ca 0.36 0.00 -0.23 0.00 -3.08 0.00 0.00 56.30 53.35 1pfl h ASN 4 Cb 0.61 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.85 1pfl h ASN 4 CO -0.61 0.00 -0.88 0.00 -2.08 0.00 0.00 177.43 173.86 1pfl h ALA 5 N 1.92 0.32 0.00 4.14 0.00 -1.32 0.22 119.26 124.54 1pfl h ALA 5 Ca 0.02 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1pfl h ALA 5 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1pfl h ALA 5 CO -0.00 0.73 0.00 0.66 0.00 0.00 0.00 179.25 180.64 1pfl n TYR 6 N -3.86 0.10 -0.01 0.00 4.01 -0.01 -0.57 117.16 116.82 1pfl n TYR 6 Ca -0.08 0.04 -0.07 0.00 -0.16 0.00 0.00 57.90 57.63 1pfl n TYR 6 Cb 0.80 -0.56 -0.13 0.00 -0.31 0.00 0.00 39.34 39.14 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 -1.59 1.52 0.30 -0.72 2.08 -0.60 -3.40 119.36 116.95 1pfl n ILE 7 Ca 0.04 -0.78 0.15 0.00 0.56 0.00 0.00 62.75 62.73 1pfl n ILE 7 Cb 0.23 -0.96 0.71 0.00 -0.75 0.00 0.00 39.64 38.88 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 -0.87 4.38 3.32 0.19 -1.77 116.42 121.67 1pfl h ASP 8 Ca -0.27 0.00 0.10 0.00 0.02 0.00 0.00 57.03 56.87 1pfl h ASP 8 Cb 1.94 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.43 1pfl h ASP 8 CO 0.07 0.00 0.57 -1.13 -1.72 0.00 0.00 179.24 177.03 1pfl h ASN 9 N 0.00 0.78 0.16 6.45 -1.24 -1.31 0.14 115.58 120.55 1pfl h ASN 9 Ca 0.00 0.02 -0.25 0.00 0.71 0.00 0.00 56.30 56.78 1pfl h ASN 9 Cb 0.27 -0.14 0.01 0.00 0.73 0.00 0.00 38.32 39.19 1pfl h ASN 9 CO 0.00 0.46 -1.00 -0.07 -1.29 0.00 0.00 177.43 175.53 1pfl h LEU 10 N 0.86 0.74 -0.68 0.34 -0.00 -1.52 -0.70 115.31 114.35 1pfl h LEU 10 Ca 0.40 -0.60 -0.12 0.00 -0.00 0.00 0.00 57.88 57.57 1pfl h LEU 10 Cb 0.40 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 40.82 1pfl h LEU 10 CO -0.17 1.40 -0.58 0.24 -0.00 0.00 0.00 178.44 179.33 1pfl h MET 11 N 0.32 0.00 0.04 1.13 2.86 -1.23 -3.23 114.93 114.81 1pfl h MET 11 Ca -0.11 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.27 1pfl h MET 11 Cb 1.65 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.28 1pfl h MET 11 CO 0.19 0.58 -1.35 0.00 1.06 0.00 0.00 176.91 177.39 1pfl h ALA 12 N 1.42 0.43 0.00 6.32 0.00 -0.66 -3.39 119.26 123.38 1pfl h ALA 12 Ca -0.01 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1pfl h ALA 12 Cb 1.13 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1pfl h ALA 12 CO 0.08 1.30 0.00 -0.40 0.00 0.00 0.00 179.25 180.23 1pfl n ASP 13 N -3.30 0.00 -2.35 0.00 5.68 -0.28 -4.89 116.55 111.41 1pfl n ASP 13 Ca -0.09 -0.41 -0.12 0.00 -0.50 0.00 0.00 54.79 53.67 1pfl n ASP 13 Cb 1.00 -0.10 -0.02 0.00 -1.14 0.00 0.00 41.12 40.86 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 0.32 -0.24 0.00 6.12 0.00 -1.26 -4.22 105.19 105.91 1pfl n GLY 14 Ca 0.13 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.86 0.00 -0.52 2.61 -1.04 -1.26 -5.03 114.28 107.18 1pfl n THR 15 Ca 0.03 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.00 1pfl n THR 15 Cb 0.25 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.80 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 -2.01 0.00 -3.28 0.00 0.00 -0.15 -3.95 117.38 107.99 1pfl n GLN 17 Ca 0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 57.00 56.89 1pfl n GLN 17 Cb 0.08 -0.12 -0.04 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 -1.96 0.72 -3.64 1.69 2.03 -1.10 -4.94 116.55 109.34 1pfl n ASP 18 Ca 0.00 -2.18 -0.04 0.00 0.52 0.00 0.00 54.79 53.09 1pfl n ASP 18 Cb 0.00 0.65 -0.07 0.00 -0.72 0.00 0.00 41.12 40.98 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 -2.63 -2.19 -0.19 -1.67 0.00 -1.26 -1.03 121.76 112.78 1pfl s ALA 19 Ca 0.14 2.00 -0.04 0.00 0.00 0.00 0.00 51.96 54.06 1pfl s ALA 19 Cb 0.01 -1.65 0.08 0.00 0.00 0.00 0.00 23.12 21.56 1pfl s ALA 19 CO 0.10 -0.27 0.17 0.00 0.00 0.00 0.00 175.76 175.76 1pfl s ALA 20 N 0.75 -0.02 -0.04 0.00 0.00 -0.73 -1.66 121.76 120.06 1pfl s ALA 20 Ca -0.02 0.06 -0.23 0.00 0.00 0.00 0.00 51.96 51.77 1pfl s ALA 20 Cb -0.04 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 1pfl s ALA 20 CO -0.11 -1.18 0.68 0.42 0.00 0.00 0.00 175.76 175.56 1pfl s ILE 21 N 2.26 4.97 -0.17 0.00 1.01 -0.86 -0.29 121.20 128.12 1pfl s ILE 21 Ca 0.05 1.40 -0.03 0.00 0.00 0.00 0.00 60.65 62.07 1pfl s ILE 21 Cb -0.16 -4.02 0.06 0.00 0.01 0.00 0.00 42.46 38.35 1pfl s ILE 21 CO -0.11 0.31 0.04 -0.69 0.00 0.00 0.00 174.94 174.50 1pfl s VAL 22 N 0.43 0.37 -0.98 2.92 1.01 0.10 -1.45 120.40 122.80 1pfl s VAL 22 Ca 0.36 -0.40 -0.25 0.00 0.00 0.00 0.00 61.98 61.69 1pfl s VAL 22 Cb -0.18 -0.88 -0.11 0.00 0.00 0.00 0.00 36.38 35.21 1pfl s VAL 22 CO 0.18 -0.17 2.09 -0.83 0.00 0.00 0.00 175.10 176.37 1pfl s GLY 23 N 1.93 -0.33 -0.19 4.51 0.00 0.19 -1.52 107.32 111.91 1pfl s GLY 23 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.24 1pfl s GLY 23 CO -0.08 3.84 1.76 1.58 0.00 0.00 0.00 173.10 180.21 1pfl n TYR 24 N 16.35 1.00 0.00 1.90 4.11 -1.26 -0.71 117.16 138.55 1pfl n TYR 24 Ca 0.43 -1.39 0.00 0.00 -0.00 0.00 0.00 57.90 56.94 1pfl n TYR 24 Cb 0.46 -0.69 0.00 0.00 -0.00 0.00 0.00 39.34 39.11 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 0.48 1.51 -0.22 -3.48 4.01 -1.26 -4.69 118.16 114.50 1pfl n LYS 25 Ca 0.19 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.91 1pfl n LYS 25 Cb 0.66 0.00 -0.04 0.00 -0.51 0.00 0.00 35.03 35.14 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 -1.56 -3.71 4.39 2.03 -2.00 -3.31 116.42 112.26 1pfl h ASP 26 Ca 0.00 0.25 -0.64 0.00 -0.73 0.00 0.00 57.03 55.91 1pfl h ASP 26 Cb 0.00 0.71 -0.20 0.00 -0.83 0.00 0.00 39.33 39.01 1pfl h ASP 26 CO 0.00 -0.33 -0.58 -0.94 -1.03 0.00 0.00 179.24 176.36 1pfl s SER 27 N -5.18 5.54 0.65 4.15 1.04 -1.26 -5.04 113.70 113.61 1pfl s SER 27 Ca -0.14 -0.10 -0.11 0.00 0.48 0.00 0.00 55.95 56.08 1pfl s SER 27 Cb 0.13 -2.01 -0.02 0.00 0.10 0.00 0.00 66.02 64.22 1pfl s SER 27 CO 0.66 -0.02 1.04 -2.16 0.98 0.00 0.00 173.24 173.74 1pfl s PRO 28 N 1.55 3.29 -0.05 4.02 0.04 -1.25 -4.72 135.00 137.88 1pfl s PRO 28 Ca 0.06 0.86 -0.29 0.00 0.04 0.00 0.00 61.00 61.68 1pfl s PRO 28 Cb -0.15 -2.04 0.10 0.00 0.04 0.00 0.00 34.50 32.45 1pfl s PRO 28 CO 0.06 -0.82 0.88 -1.54 0.04 0.00 0.00 177.00 175.62 1pfl s SER 29 N -3.93 -0.42 -0.59 6.66 1.04 0.11 -4.86 113.70 111.70 1pfl s SER 29 Ca 0.57 0.25 -0.23 0.00 0.48 0.00 0.00 55.95 57.01 1pfl s SER 29 Cb -0.13 0.39 0.05 0.00 0.10 0.00 0.00 66.02 66.44 1pfl s SER 29 CO 0.53 -0.55 0.95 -0.69 0.98 0.00 0.00 173.24 174.46 1pfl s VAL 30 N -2.18 4.36 0.24 5.02 1.01 -1.26 0.54 120.40 128.14 1pfl s VAL 30 Ca 0.00 0.03 0.20 0.00 0.00 0.00 0.00 61.98 62.20 1pfl s VAL 30 Cb -0.01 -4.59 0.17 0.00 0.00 0.00 0.00 36.38 31.95 1pfl s VAL 30 CO -0.03 -1.25 1.81 -0.50 0.00 0.00 0.00 175.10 175.14 1pfl h TRP 31 N 9.41 0.00 0.00 5.22 4.06 -1.56 -3.43 115.95 129.65 1pfl h TRP 31 Ca -0.27 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.68 1pfl h TRP 31 Cb 1.07 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.23 1pfl h TRP 31 CO 0.93 0.32 0.00 0.00 -3.56 0.00 0.00 178.44 176.13 1pfl n ALA 32 N -2.31 0.00 -2.89 1.49 0.00 -0.79 -4.94 120.51 111.07 1pfl n ALA 32 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 1pfl n ALA 32 Cb 0.44 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.74 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 2.40 -0.74 0.00 0.00 -1.26 -2.02 121.76 120.14 1pfl s ALA 33 Ca 0.00 -0.97 -0.32 0.00 0.00 0.00 0.00 51.96 50.67 1pfl s ALA 33 Cb 0.00 -0.93 -0.17 0.00 0.00 0.00 0.00 23.12 22.02 1pfl s ALA 33 CO 0.00 0.36 2.50 0.28 0.00 0.00 0.00 175.76 178.90 1pfl n VAL 34 N 3.13 0.01 -2.18 0.00 0.31 -0.67 -4.72 118.33 114.21 1pfl n VAL 34 Ca -0.18 -0.21 -0.42 0.00 -0.01 0.00 0.00 64.34 63.53 1pfl n VAL 34 Cb 0.52 -1.15 -0.03 0.00 -0.91 0.00 0.00 33.84 32.28 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 8.09 4.33 0.00 5.55 0.04 -1.26 -3.53 135.00 148.22 1pfl s PRO 35 Ca 1.22 2.07 0.00 0.00 0.04 0.00 0.00 61.00 64.33 1pfl s PRO 35 Cb -1.00 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 30.29 1pfl s PRO 35 CO 0.46 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.50 1pfl n GLY 36 N 3.37 1.31 0.00 0.56 0.00 -1.26 -5.06 105.19 104.10 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 0.00 0.00 0.00 1.61 4.76 -1.23 -5.09 118.16 118.21 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 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 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 0.00 0.00 -0.38 -0.18 -1.04 -1.26 -4.96 114.28 106.46 1pfl n THR 38 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 1pfl n THR 38 Cb 0.00 -0.01 0.11 0.00 -1.82 0.00 0.00 70.33 68.61 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 1.26 -0.06 -1.42 -1.00 -1.88 -1.79 116.94 112.04 1pfl h PHE 39 Ca 0.00 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.83 1pfl h PHE 39 Cb 0.00 -0.42 -0.00 0.00 3.61 0.00 0.00 35.95 39.13 1pfl h PHE 39 CO 0.00 0.79 0.21 -0.24 -1.61 0.00 0.00 178.31 177.46 1pfl h VAL 40 N 1.35 0.13 -0.54 -0.55 3.04 -1.84 0.34 116.25 118.18 1pfl h VAL 40 Ca 0.37 0.00 -0.26 0.00 -1.01 0.00 0.00 66.70 65.80 1pfl h VAL 40 Cb -0.15 0.80 -0.15 0.00 -2.01 0.00 0.00 31.29 29.78 1pfl h VAL 40 CO -0.08 0.00 0.33 0.59 -1.01 0.00 0.00 177.57 177.39 1pfl n ASN 41 N -3.20 3.46 -4.71 3.17 4.13 -0.67 -4.73 115.26 112.72 1pfl n ASN 41 Ca -0.01 -2.86 -0.29 0.00 1.68 0.00 0.00 54.58 53.10 1pfl n ASN 41 Cb 0.29 -0.68 0.15 0.00 -1.54 0.00 0.00 39.78 38.00 1pfl n ASN 41 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1pfl s ILE 42 N -1.88 2.40 0.36 2.41 1.01 0.12 -4.56 121.20 121.06 1pfl s ILE 42 Ca 0.32 0.13 -0.13 0.00 0.00 0.00 0.00 60.65 60.97 1pfl s ILE 42 Cb 0.27 -2.64 0.04 0.00 0.01 0.00 0.00 42.46 40.14 1pfl s ILE 42 CO 0.07 -0.17 0.69 0.42 0.00 0.00 0.00 174.94 175.95 1pfl s THR 43 N -2.97 0.00 -1.99 2.92 -4.23 -1.26 -4.88 115.64 103.23 1pfl s THR 43 Ca 0.64 -1.16 0.16 0.00 -1.18 0.00 0.00 61.69 60.15 1pfl s THR 43 Cb -0.18 -2.71 0.45 0.00 1.34 0.00 0.00 72.50 71.41 1pfl s THR 43 CO 0.57 0.00 1.37 -0.81 -0.54 0.00 0.00 174.62 175.21 1pfl n PRO 44 N -0.53 0.50 -0.03 3.99 -0.04 -1.26 -1.64 135.00 135.99 1pfl n PRO 44 Ca -0.05 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.39 1pfl n PRO 44 Cb 0.60 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.56 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 3.00 0.00 -0.30 0.55 0.00 -1.96 0.15 119.26 120.70 1pfl h ALA 45 Ca 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1pfl h ALA 45 Cb 0.00 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1pfl h ALA 45 CO 0.00 0.16 0.20 1.05 0.00 0.00 0.00 179.25 180.66 1pfl h GLU 46 N -0.43 0.28 0.00 0.00 9.09 -1.75 0.20 114.58 121.96 1pfl h GLU 46 Ca 0.00 -0.02 -0.12 0.00 0.05 0.00 0.00 59.36 59.27 1pfl h GLU 46 Cb 0.16 -0.06 -0.02 0.00 -1.65 0.00 0.00 28.75 27.18 1pfl h GLU 46 CO 0.00 0.18 -0.70 0.28 0.05 0.00 0.00 179.01 178.83 1pfl h VAL 47 N 0.29 0.82 -0.13 -1.06 2.07 -1.46 -2.82 116.25 113.95 1pfl h VAL 47 Ca 0.12 -2.22 0.04 0.00 0.82 0.00 0.00 66.70 65.47 1pfl h VAL 47 Cb 0.14 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 1pfl h VAL 47 CO -0.03 0.47 0.11 1.23 0.02 0.00 0.00 177.57 179.38 1pfl h GLY 48 N 3.52 0.00 0.20 2.17 0.00 0.24 0.85 103.07 110.05 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 0.06 0.00 -2.29 1.55 0.00 0.00 0.00 176.54 175.86 1pfl n VAL 49 N -4.18 1.51 0.40 4.60 3.14 -1.07 -0.02 118.33 122.72 1pfl n VAL 49 Ca 0.00 -0.71 0.10 0.00 -2.96 0.00 0.00 64.34 60.78 1pfl n VAL 49 Cb 0.23 -1.09 0.44 0.00 -1.06 0.00 0.00 33.84 32.36 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 -3.09 0.48 0.00 6.55 4.77 -0.98 -3.78 117.00 120.94 1pfl n LEU 50 Ca -0.36 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1pfl n LEU 50 Cb 1.06 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1pfl n LEU 50 CO 0.36 -0.50 0.00 1.33 -1.33 0.00 0.00 177.39 177.25 1pfl n VAL 51 N -2.03 0.00 -1.55 4.08 0.24 0.26 -5.05 118.33 114.27 1pfl n VAL 51 Ca 0.02 0.00 -0.52 0.00 -2.04 0.00 0.00 64.34 61.80 1pfl n VAL 51 Cb 0.20 0.92 -0.05 0.00 -1.47 0.00 0.00 33.84 33.43 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 0.01 0.28 7.63 0.00 0.97 -4.77 105.19 109.31 1pfl n GLY 52 Ca 0.00 0.63 0.15 0.00 0.00 0.00 0.00 46.02 46.79 1pfl n GLY 52 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1pfl h LYS 53 N 3.55 0.00 -6.27 1.61 5.09 -1.95 -3.42 116.57 115.17 1pfl h LYS 53 Ca -0.45 0.00 -0.68 0.00 0.09 0.00 0.00 60.65 59.61 1pfl h LYS 53 Cb 1.36 0.00 0.05 0.00 0.10 0.00 0.00 32.23 33.74 1pfl h LYS 53 CO 0.71 0.00 0.54 -3.47 -2.09 0.00 0.00 179.45 175.14 1pfl n ASP 54 N -2.70 1.86 -1.50 7.07 -0.08 -1.26 -4.88 116.55 115.07 1pfl n ASP 54 Ca -0.02 1.11 -0.12 0.00 -1.51 0.00 0.00 54.79 54.25 1pfl n ASP 54 Cb 0.26 -1.20 0.15 0.00 2.34 0.00 0.00 41.12 42.67 1pfl n ASP 54 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1pfl n ARG 55 N 2.99 2.27 0.00 -0.67 0.00 -1.26 -4.72 116.66 115.26 1pfl n ARG 55 Ca 0.19 -3.39 0.00 0.00 -0.00 0.00 0.00 57.85 54.66 1pfl n ARG 55 Cb 0.19 -1.97 0.00 0.00 -0.00 0.00 0.00 32.46 30.68 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 -1.03 0.00 0.00 2.89 2.88 -1.26 -5.05 113.62 112.05 1pfl n SER 56 Ca 0.40 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 1pfl n SER 56 Cb 1.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.46 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 0.00 0.00 0.07 -3.46 3.41 -1.26 -4.37 113.62 108.00 1pfl n SER 57 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1pfl n SER 57 Cb 0.00 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.13 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 0.03 7.33 -1.74 -1.26 -1.81 117.46 120.01 1pfl n PHE 58 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1pfl n PHE 58 Cb 0.00 -0.11 0.02 0.00 1.52 0.00 0.00 39.48 40.91 1pfl n PHE 58 CO 0.00 0.00 0.00 0.66 -0.56 0.00 0.00 176.76 176.86 1pfl n TYR 59 N -2.65 0.00 0.00 2.97 4.01 -1.26 -1.15 117.16 119.08 1pfl n TYR 59 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 1pfl n TYR 59 Cb 1.13 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 40.04 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 -1.12 0.00 -0.10 -0.72 0.24 -0.75 -4.86 118.33 111.02 1pfl n VAL 60 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.07 1pfl n VAL 60 Cb 0.00 -0.81 -0.12 0.00 -1.47 0.00 0.00 33.84 31.45 1pfl n VAL 60 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1pfl n ASN 61 N -1.87 1.93 0.00 -1.34 0.23 -0.97 -5.01 115.26 108.23 1pfl n ASN 61 Ca 0.00 0.33 0.00 0.00 -0.53 0.00 0.00 54.58 54.38 1pfl n ASN 61 Cb 0.43 -0.88 0.00 0.00 -2.08 0.00 0.00 39.78 37.25 1pfl n ASN 61 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pfl n GLY 62 N 1.53 4.17 0.00 4.83 0.00 -0.30 -4.71 105.19 110.71 1pfl n GLY 62 Ca -0.39 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.59 0.99 4.77 0.43 -4.77 117.00 114.83 1pfl n LEU 63 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 1pfl n LEU 63 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 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 0.21 -0.59 -0.22 -5.08 -4.23 -1.26 -2.31 115.64 102.17 1pfl s THR 64 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.48 1pfl s THR 64 Cb 0.00 -1.00 0.07 0.00 1.34 0.00 0.00 72.50 72.91 1pfl s THR 64 CO 0.00 0.00 0.06 -1.48 -0.54 0.00 0.00 174.62 172.66 1pfl s LEU 65 N 2.39 1.18 -0.20 4.79 2.34 -1.02 -4.11 118.68 124.05 1pfl s LEU 65 Ca -0.06 -0.95 0.00 0.00 0.06 0.00 0.00 54.13 53.17 1pfl s LEU 65 Cb -0.08 -0.57 0.00 0.00 -0.56 0.00 0.00 46.19 44.97 1pfl s LEU 65 CO -0.18 -0.34 0.00 0.61 -1.06 0.00 0.00 176.35 175.38 1pfl n GLY 66 N 5.06 0.51 1.28 -3.48 0.00 -1.26 -2.60 105.19 104.71 1pfl n GLY 66 Ca -0.08 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.63 0.65 3.23 -0.02 0.00 -1.26 -4.82 105.19 100.34 1pfl n GLY 67 Ca -0.02 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.75 2.60 -0.40 1.61 2.00 -1.07 -5.03 119.66 118.61 1pfl s GLN 68 Ca 0.00 -1.77 -0.28 0.00 -2.00 0.00 0.00 55.36 51.32 1pfl s GLN 68 Cb 0.00 -4.01 -0.03 0.00 0.80 0.00 0.00 33.01 29.77 1pfl s GLN 68 CO 0.00 -1.23 1.98 0.21 -0.50 0.00 0.00 175.29 175.76 1pfl s LYS 69 N 1.39 2.95 0.50 1.67 2.20 -1.26 -2.42 119.74 124.77 1pfl s LYS 69 Ca 0.05 1.36 0.08 0.00 -0.36 0.00 0.00 55.97 57.10 1pfl s LYS 69 Cb -0.27 -4.33 0.04 0.00 -1.51 0.00 0.00 37.83 31.76 1pfl s LYS 69 CO -0.00 -2.31 0.55 0.00 -0.36 0.00 0.00 175.35 173.22 1pfl s SER 71 N -4.38 3.47 -0.10 0.00 1.04 -0.23 -0.43 113.70 113.07 1pfl s SER 71 Ca 0.50 -1.10 -0.39 0.00 0.48 0.00 0.00 55.95 55.44 1pfl s SER 71 Cb -0.05 -0.87 -0.16 0.00 0.10 0.00 0.00 66.02 65.04 1pfl s SER 71 CO 0.30 -0.30 1.53 0.52 0.98 0.00 0.00 173.24 176.28 1pfl n VAL 72 N 4.86 0.15 -3.41 5.02 0.31 -1.26 -1.84 118.33 122.17 1pfl n VAL 72 Ca -0.09 -0.03 -0.26 0.00 -0.01 0.00 0.00 64.34 63.95 1pfl n VAL 72 Cb 0.45 -1.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.30 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 3.51 0.12 0.00 2.52 5.41 0.27 -4.82 119.36 126.37 1pfl n ILE 73 Ca 0.22 -4.21 0.00 0.00 1.00 0.00 0.00 62.75 59.76 1pfl n ILE 73 Cb 0.16 -1.93 0.00 0.00 -0.71 0.00 0.00 39.64 37.15 1pfl n ILE 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1pfl n ARG 74 N 1.80 0.00 -2.05 0.38 0.63 -1.26 -3.47 116.66 112.69 1pfl n ARG 74 Ca 0.25 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.81 1pfl n ARG 74 Cb 0.46 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.34 1pfl n ARG 74 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1pfl s ASP 75 N -0.60 5.28 0.00 6.15 2.15 -1.26 -3.43 116.67 124.95 1pfl s ASP 75 Ca 0.00 0.24 0.00 0.00 0.43 0.00 0.00 52.55 53.22 1pfl s ASP 75 Cb 0.00 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1pfl s ASP 75 CO 0.00 -2.40 0.36 -0.24 -0.17 0.00 0.00 175.17 172.72 1pfl n SER 76 N 12.79 0.72 -0.67 -0.34 2.88 -0.02 -4.79 113.62 124.19 1pfl n SER 76 Ca 0.22 -0.93 0.51 0.00 -1.33 0.00 0.00 58.87 57.34 1pfl n SER 76 Cb 0.52 0.09 0.79 0.00 -0.75 0.00 0.00 64.21 64.86 1pfl n SER 76 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1pfl n LEU 77 N -0.09 0.00 -4.68 2.46 0.00 -0.78 -0.09 117.00 113.82 1pfl n LEU 77 Ca 0.00 0.97 -0.37 0.00 0.00 0.00 0.00 56.01 56.60 1pfl n LEU 77 Cb 0.04 -0.47 -0.08 0.00 0.00 0.00 0.00 43.42 42.91 1pfl n LEU 77 CO 0.00 -0.97 -0.02 -0.76 0.00 0.00 0.00 177.39 175.64 1pfl s LEU 78 N -7.69 4.15 -0.26 -1.96 1.43 -1.26 -4.15 118.68 108.94 1pfl s LEU 78 Ca -0.05 0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 53.31 1pfl s LEU 78 Cb 0.26 -2.34 -0.11 0.00 0.03 0.00 0.00 46.19 44.03 1pfl s LEU 78 CO 0.85 0.00 1.23 0.00 0.23 0.00 0.00 176.35 178.67 1pfl n GLN 79 N 4.26 0.02 -1.00 1.70 0.00 -1.25 -4.09 117.38 117.01 1pfl n GLN 79 Ca -0.11 -0.54 -0.05 0.00 0.00 0.00 0.00 57.00 56.30 1pfl n GLN 79 Cb 0.52 -1.91 0.31 0.00 0.00 0.00 0.00 30.24 29.16 1pfl n GLN 79 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1pfl n ASP 80 N 8.60 4.82 0.00 2.61 2.03 -1.26 -4.75 116.55 128.59 1pfl n ASP 80 Ca 0.16 -3.22 0.00 0.00 0.52 0.00 0.00 54.79 52.25 1pfl n ASP 80 Cb 0.42 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 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 -0.15 0.93 2.02 0.27 0.00 -1.26 -4.95 105.19 102.05 1pfl n GLY 81 Ca 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.11 0.00 -4.16 1.61 4.71 -1.26 -5.05 120.64 114.38 1pfl n GLU 82 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 56.82 1pfl n GLU 82 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.38 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 -2.70 -1.40 -3.78 -0.32 -1.74 0.87 -4.88 117.46 103.51 1pfl n PHE 83 Ca 0.00 0.53 -0.13 0.00 -0.56 0.00 0.00 57.45 57.29 1pfl n PHE 83 Cb 0.00 -3.04 -0.12 0.00 1.52 0.00 0.00 39.48 37.84 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 -4.18 -0.22 -0.04 5.98 1.04 -1.05 -2.58 113.70 112.66 1pfl s SER 84 Ca 0.12 0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.98 1pfl s SER 84 Cb -0.06 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.49 1pfl s SER 84 CO 0.96 -0.10 -0.00 -0.32 0.98 0.00 0.00 173.24 174.76 1pfl s MET 85 N 0.42 0.44 -1.22 4.02 1.75 -0.17 -0.84 119.30 123.70 1pfl s MET 85 Ca -0.03 0.07 -0.11 0.00 -1.25 0.00 0.00 55.69 54.37 1pfl s MET 85 Cb -0.04 -0.65 0.19 0.00 2.84 0.00 0.00 34.83 37.17 1pfl s MET 85 CO -0.02 -0.17 1.56 -0.25 -0.65 0.00 0.00 175.02 175.50 1pfl n ASP 86 N 4.39 5.29 -4.55 1.11 9.92 -1.22 -1.17 116.55 130.32 1pfl n ASP 86 Ca -0.21 -3.06 -0.41 0.00 -0.53 0.00 0.00 54.79 50.58 1pfl n ASP 86 Cb 0.50 -1.50 -0.08 0.00 -0.64 0.00 0.00 41.12 39.40 1pfl n ASP 86 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 1pfl s LEU 87 N 0.40 4.37 -0.07 0.64 -0.00 -0.18 0.94 118.68 124.78 1pfl s LEU 87 Ca 0.40 -0.08 0.03 0.00 -0.00 0.00 0.00 54.13 54.48 1pfl s LEU 87 Cb 0.01 -2.51 -0.02 0.00 -0.00 0.00 0.00 46.19 43.67 1pfl s LEU 87 CO 0.00 -0.43 -0.16 0.00 -0.00 0.00 0.00 176.35 175.76 1pfl s ARG 88 N 2.27 2.71 -0.69 1.48 1.70 -0.76 -1.67 118.95 123.99 1pfl s ARG 88 Ca 0.17 -0.74 -0.26 0.00 -0.47 0.00 0.00 55.73 54.43 1pfl s ARG 88 Cb -0.16 -2.39 -0.12 0.00 -0.57 0.00 0.00 34.95 31.71 1pfl s ARG 88 CO 0.13 0.48 2.42 0.25 -1.08 0.00 0.00 175.30 177.49 1pfl n THR 89 N 2.72 -0.03 -2.39 4.99 -2.24 0.25 -1.07 114.28 116.51 1pfl n THR 89 Ca -0.17 -0.61 -0.31 0.00 -2.27 0.00 0.00 64.05 60.69 1pfl n THR 89 Cb 0.52 -2.24 -0.02 0.00 -2.10 0.00 0.00 70.33 66.49 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 8.65 3.79 0.07 -0.78 1.02 -1.26 -1.83 119.74 129.41 1pfl s LYS 90 Ca 0.96 0.74 0.00 0.00 0.02 0.00 0.00 55.97 57.69 1pfl s LYS 90 Cb -0.18 -2.20 -0.00 0.00 -0.52 0.00 0.00 37.83 34.93 1pfl s LYS 90 CO 0.17 -0.28 0.09 0.45 -0.92 0.00 0.00 175.35 174.85 1pfl n SER 91 N -1.85 -0.25 -3.20 2.83 2.88 -1.26 -4.96 113.62 107.81 1pfl n SER 91 Ca 0.05 -1.43 -0.11 0.00 -1.33 0.00 0.00 58.87 56.05 1pfl n SER 91 Cb 0.54 0.49 -0.01 0.00 -0.75 0.00 0.00 64.21 64.48 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 -2.45 0.00 -1.12 2.46 -4.23 -1.26 -4.84 115.64 104.20 1pfl s THR 92 Ca 0.07 -1.28 -0.02 0.00 -1.18 0.00 0.00 61.69 59.28 1pfl s THR 92 Cb -0.00 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 71.17 1pfl s THR 92 CO 0.05 0.00 0.95 0.61 -0.54 0.00 0.00 174.62 175.69 1pfl n GLY 93 N -0.53 -0.31 2.47 3.99 0.00 -1.26 -1.48 105.19 108.07 1pfl n GLY 93 Ca -0.04 0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.29 0.90 3.76 -0.02 0.00 -1.26 -4.96 105.19 102.32 1pfl n GLY 94 Ca -0.20 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.80 1.81 -0.25 4.61 0.00 -0.55 -5.01 121.76 119.57 1pfl s ALA 95 Ca 0.00 -0.26 -0.17 0.00 0.00 0.00 0.00 51.96 51.53 1pfl s ALA 95 Cb 0.00 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 1pfl s ALA 95 CO 0.00 -2.14 0.47 -1.25 0.00 0.00 0.00 175.76 172.84 1pfl s PRO 96 N -5.10 4.08 0.48 0.00 0.04 -1.26 -4.72 135.00 128.52 1pfl s PRO 96 Ca 0.63 0.25 0.06 0.00 0.04 0.00 0.00 61.00 61.97 1pfl s PRO 96 Cb -0.16 -3.63 0.03 0.00 0.04 0.00 0.00 34.50 30.77 1pfl s PRO 96 CO 0.55 -0.28 0.67 0.95 0.04 0.00 0.00 177.00 178.92 1pfl s THR 97 N 2.09 2.81 -0.02 1.26 -4.23 -1.26 -4.73 115.64 111.56 1pfl s THR 97 Ca 0.20 -0.87 -0.05 0.00 -1.18 0.00 0.00 61.69 59.79 1pfl s THR 97 Cb -0.16 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.75 1pfl s THR 97 CO 0.09 0.00 0.10 -0.36 -0.54 0.00 0.00 174.62 173.92 1pfl s PHE 98 N -2.53 -0.01 0.07 3.99 0.08 -0.76 -4.51 117.98 114.31 1pfl s PHE 98 Ca 0.57 0.03 0.09 0.00 0.12 0.00 0.00 56.93 57.74 1pfl s PHE 98 Cb -0.10 -0.02 -0.03 0.00 -0.57 0.00 0.00 43.02 42.30 1pfl s PHE 98 CO 0.36 -0.16 -0.24 -0.80 -0.10 0.00 0.00 175.22 174.28 1pfl s ASN 99 N -0.68 3.42 -0.01 1.36 -0.87 -0.69 0.87 114.94 118.34 1pfl s ASN 99 Ca -0.08 -0.58 0.02 0.00 -1.57 0.00 0.00 52.86 50.64 1pfl s ASN 99 Cb -0.05 -0.37 0.00 0.00 -0.02 0.00 0.00 41.25 40.81 1pfl s ASN 99 CO 0.00 0.23 -0.05 -0.69 -2.57 0.00 0.00 177.10 174.03 1pfl s VAL 100 N -0.92 0.44 -0.19 1.60 1.01 -0.67 -0.52 120.40 121.15 1pfl s VAL 100 Ca 0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 1pfl s VAL 100 Cb -0.10 -0.39 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 1pfl s VAL 100 CO 0.04 0.14 -0.08 -0.89 0.00 0.00 0.00 175.10 174.31 1pfl s THR 101 N 0.07 3.17 -0.19 3.92 2.01 -0.13 -1.01 115.64 123.48 1pfl s THR 101 Ca -0.00 -0.58 -0.02 0.00 0.31 0.00 0.00 61.69 61.40 1pfl s THR 101 Cb -0.04 -2.40 -0.01 0.00 0.01 0.00 0.00 72.50 70.05 1pfl s THR 101 CO -0.00 0.46 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.61 1pfl s VAL 102 N 1.14 3.13 0.52 3.82 1.01 -0.31 -0.10 120.40 129.61 1pfl s VAL 102 Ca 0.01 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.48 1pfl s VAL 102 Cb -0.14 -2.38 0.04 0.00 0.00 0.00 0.00 36.38 33.90 1pfl s VAL 102 CO -0.02 0.47 0.55 0.42 0.00 0.00 0.00 175.10 176.52 1pfl s THR 103 N 1.13 2.10 0.05 3.92 -4.23 0.09 -1.00 115.64 117.70 1pfl s THR 103 Ca 0.01 -1.25 -0.09 0.00 -1.18 0.00 0.00 61.69 59.17 1pfl s THR 103 Cb -0.14 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.34 1pfl s THR 103 CO -0.02 0.00 0.20 -0.75 -0.54 0.00 0.00 174.62 173.51 1pfl s LYS 104 N -4.40 0.73 0.00 3.99 2.47 -1.06 -2.05 119.74 119.41 1pfl s LYS 104 Ca 0.48 -0.70 0.00 0.00 -1.56 0.00 0.00 55.97 54.19 1pfl s LYS 104 Cb -0.04 0.30 0.00 0.00 -1.46 0.00 0.00 37.83 36.63 1pfl s LYS 104 CO 0.30 -0.22 0.00 0.25 0.16 0.00 0.00 175.35 175.84 1pfl n THR 105 N 0.51 0.00 0.01 3.43 -2.24 -1.07 -4.88 114.28 110.04 1pfl n THR 105 Ca -0.18 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.71 1pfl n THR 105 Cb 0.60 0.00 -0.17 0.00 -2.10 0.00 0.00 70.33 68.66 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 0.08 -0.45 3.42 -0.08 -1.24 -4.62 116.55 113.66 1pfl n ASP 106 Ca 0.00 -0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 1pfl n ASP 106 Cb 0.00 1.97 0.00 0.00 2.34 0.00 0.00 41.12 45.43 1pfl n ASP 106 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1pfl n LYS 107 N -2.24 0.00 -3.98 -0.67 5.02 -1.25 -5.10 118.16 109.94 1pfl n LYS 107 Ca -0.04 -0.74 -0.09 0.00 -2.02 0.00 0.00 58.31 55.42 1pfl n LYS 107 Cb 0.56 -0.39 -0.11 0.00 -0.02 0.00 0.00 35.03 35.07 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 0.12 -0.41 -0.18 -4.23 -1.26 -4.32 115.64 105.37 1pfl s THR 108 Ca 0.00 -1.03 0.03 0.00 -1.18 0.00 0.00 61.69 59.51 1pfl s THR 108 Cb 0.00 -0.51 0.12 0.00 1.34 0.00 0.00 72.50 73.44 1pfl s THR 108 CO 0.00 -0.57 0.15 -0.22 -0.54 0.00 0.00 174.62 173.45 1pfl s LEU 109 N -1.71 3.85 0.24 4.79 1.98 -0.58 -2.59 118.68 124.65 1pfl s LEU 109 Ca -0.12 -2.41 -0.14 0.00 -2.89 0.00 0.00 54.13 48.57 1pfl s LEU 109 Cb -0.06 -1.40 -0.08 0.00 0.66 0.00 0.00 46.19 45.31 1pfl s LEU 109 CO -0.02 -0.32 0.65 -0.69 -1.89 0.00 0.00 176.35 174.07 1pfl s VAL 110 N 0.57 4.76 0.08 1.68 1.01 -0.87 -0.72 120.40 126.90 1pfl s VAL 110 Ca 0.14 0.87 0.04 0.00 0.00 0.00 0.00 61.98 63.03 1pfl s VAL 110 Cb -0.22 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1pfl s VAL 110 CO -0.07 0.02 -0.12 -0.76 0.00 0.00 0.00 175.10 174.17 1pfl s LEU 111 N -2.51 2.32 -0.27 3.92 1.43 0.61 -0.73 118.68 123.45 1pfl s LEU 111 Ca 0.47 -0.67 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1pfl s LEU 111 Cb -0.13 -0.38 0.08 0.00 0.03 0.00 0.00 46.19 45.79 1pfl s LEU 111 CO 0.19 -0.16 0.06 -0.22 0.23 0.00 0.00 176.35 176.45 1pfl s LEU 112 N -1.97 2.03 0.19 1.79 1.98 0.86 -1.77 118.68 121.80 1pfl s LEU 112 Ca -0.01 -1.36 -0.10 0.00 -2.89 0.00 0.00 54.13 49.77 1pfl s LEU 112 Cb -0.08 -0.84 -0.07 0.00 0.66 0.00 0.00 46.19 45.86 1pfl s LEU 112 CO 0.01 -0.36 0.52 -0.32 -1.89 0.00 0.00 176.35 174.31 1pfl s MET 113 N 1.64 3.81 0.02 1.98 -2.45 -0.20 -0.95 119.30 123.15 1pfl s MET 113 Ca 0.05 0.27 -0.12 0.00 -1.25 0.00 0.00 55.69 54.63 1pfl s MET 113 Cb -0.17 -2.75 0.01 0.00 1.25 0.00 0.00 34.83 33.17 1pfl s MET 113 CO -0.18 0.38 0.26 0.20 1.05 0.00 0.00 175.02 176.73 1pfl s GLY 114 N -2.20 -0.07 0.26 2.11 0.00 0.32 -0.98 107.32 106.77 1pfl s GLY 114 Ca 0.44 0.04 0.06 0.00 0.00 0.00 0.00 44.72 45.25 1pfl s GLY 114 CO 0.21 -0.16 -0.04 0.54 0.00 0.00 0.00 173.10 173.65 1pfl s LYS 115 N -1.93 1.47 0.00 2.90 1.02 -1.19 -1.71 119.74 120.30 1pfl s LYS 115 Ca -0.10 -1.74 0.00 0.00 0.02 0.00 0.00 55.97 54.15 1pfl s LYS 115 Cb -0.03 -0.98 0.00 0.00 -0.52 0.00 0.00 37.83 36.29 1pfl s LYS 115 CO 0.00 0.00 0.00 -1.91 -0.92 0.00 0.00 175.35 172.52 1pfl n GLU 116 N -0.52 0.00 -1.06 1.68 2.13 -1.26 -3.27 120.64 118.34 1pfl n GLU 116 Ca -0.05 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.74 1pfl n GLU 116 Cb 0.63 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.34 1pfl n GLU 116 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pfl n GLY 117 N 0.00 0.50 3.29 8.31 0.00 -1.26 -4.90 105.19 111.12 1pfl n GLY 117 Ca 0.00 -0.20 -0.45 0.00 0.00 0.00 0.00 46.02 45.38 1pfl n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pfl s VAL 118 N -1.82 5.17 -0.12 1.61 0.11 -1.20 -4.85 120.40 119.29 1pfl s VAL 118 Ca 0.00 -2.26 0.19 0.00 -2.93 0.00 0.00 61.98 56.98 1pfl s VAL 118 Cb 0.00 -4.25 0.17 0.00 -1.53 0.00 0.00 36.38 30.77 1pfl s VAL 118 CO 0.00 -0.95 1.60 -0.74 -3.33 0.00 0.00 175.10 171.68 1pfl h HIS 119 N 7.99 0.00 0.00 1.54 2.76 -1.91 -3.44 115.15 122.08 1pfl h HIS 119 Ca -0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1pfl h HIS 119 Cb 1.05 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.01 1pfl h HIS 119 CO 0.89 0.32 0.00 0.41 -1.30 0.00 0.00 177.93 178.25 1pfl n GLY 120 N 0.86 2.20 0.12 5.26 0.00 -1.26 -4.86 105.19 107.51 1pfl n GLY 120 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 1pfl n GLY 120 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pfl h GLY 121 N 0.00 0.37 1.31 -0.02 0.00 -1.97 -1.20 103.07 101.56 1pfl h GLY 121 Ca 0.00 -0.94 -0.21 0.00 0.00 0.00 0.00 47.33 46.17 1pfl h GLY 121 CO 0.00 0.83 -0.77 1.41 0.00 0.00 0.00 176.54 178.01 1pfl h LEU 122 N 0.09 0.80 -0.85 3.11 3.38 -1.98 -1.10 115.31 118.76 1pfl h LEU 122 Ca -0.26 -0.53 -0.10 0.00 0.09 0.00 0.00 57.88 57.09 1pfl h LEU 122 Cb 2.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.55 1pfl h LEU 122 CO 0.18 1.31 -0.20 0.40 0.09 0.00 0.00 178.44 180.22 1pfl h ILE 123 N 0.46 1.26 0.00 1.22 2.04 -1.96 0.13 117.51 120.66 1pfl h ILE 123 Ca -0.05 -1.25 -0.04 0.00 1.00 0.00 0.00 64.86 64.52 1pfl h ILE 123 Cb 1.38 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 1pfl h ILE 123 CO 0.15 0.41 -0.19 -1.13 0.00 0.00 0.00 178.15 177.39 1pfl h ASN 124 N 0.56 0.00 0.86 1.72 -1.24 -0.87 0.49 115.58 117.10 1pfl h ASN 124 Ca 0.09 0.00 -0.23 0.00 0.71 0.00 0.00 56.30 56.86 1pfl h ASN 124 Cb 0.66 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.68 1pfl h ASN 124 CO 0.05 0.19 -1.14 0.11 -1.29 0.00 0.00 177.43 175.34 1pfl h LYS 125 N 0.00 0.05 0.00 6.67 1.79 0.20 -2.32 116.57 122.96 1pfl h LYS 125 Ca -0.00 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1pfl h LYS 125 Cb 0.46 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1pfl h LYS 125 CO 0.02 0.98 -0.45 1.63 -1.08 0.00 0.00 179.45 180.55 1pfl n LYS 126 N -3.34 0.09 -0.01 3.15 4.01 0.28 -2.48 118.16 119.85 1pfl n LYS 126 Ca -0.04 0.03 -0.09 0.00 -0.51 0.00 0.00 58.31 57.70 1pfl n LYS 126 Cb 0.97 -1.56 -0.14 0.00 -0.51 0.00 0.00 35.03 33.79 1pfl n LYS 126 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1pfl h TYR 128 N 0.01 0.51 0.19 0.00 3.20 -1.42 -1.52 116.97 117.93 1pfl h TYR 128 Ca -0.28 -0.14 -0.31 0.00 3.14 0.00 0.00 58.73 61.14 1pfl h TYR 128 Cb 2.00 -0.11 0.02 0.00 1.54 0.00 0.00 36.73 40.18 1pfl h TYR 128 CO 0.01 0.76 -1.36 0.93 -1.64 0.00 0.00 178.16 176.85 1pfl h GLU 129 N 0.36 0.44 -0.49 1.82 5.08 -1.53 0.24 114.58 120.50 1pfl h GLU 129 Ca 0.03 -0.73 0.02 0.00 -1.00 0.00 0.00 59.36 57.68 1pfl h GLU 129 Cb 0.85 0.27 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 1pfl h GLU 129 CO 0.07 1.35 0.29 1.98 -1.00 0.00 0.00 179.01 181.70 1pfl h MET 130 N 0.13 0.57 0.00 2.33 4.05 -1.25 -0.70 114.93 120.06 1pfl h MET 130 Ca -0.20 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.19 1pfl h MET 130 Cb 2.07 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 32.74 1pfl h MET 130 CO 0.24 0.38 -0.16 0.00 0.23 0.00 0.00 176.91 177.60 1pfl h ALA 131 N 1.21 0.91 -0.53 0.39 0.00 -1.34 -3.13 119.26 116.78 1pfl h ALA 131 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1pfl h ALA 131 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1pfl h ALA 131 CO -0.09 0.00 0.35 0.77 0.00 0.00 0.00 179.25 180.28 1pfl h SER 132 N 0.00 0.53 0.37 0.00 0.02 0.11 0.20 113.55 114.77 1pfl h SER 132 Ca 0.00 -0.01 -0.32 0.00 -0.84 0.00 0.00 61.79 60.62 1pfl h SER 132 Cb 0.88 -0.13 0.02 0.00 0.14 0.00 0.00 62.40 63.32 1pfl h SER 132 CO 0.00 0.37 -1.46 -0.74 -1.14 0.00 0.00 176.83 173.86 1pfl h HIS 133 N 0.62 0.78 0.00 3.45 2.76 -1.48 -2.16 115.15 119.12 1pfl h HIS 133 Ca 0.21 -0.57 0.00 0.00 -2.20 0.00 0.00 60.37 57.81 1pfl h HIS 133 Cb 0.07 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.00 1pfl h HIS 133 CO -0.00 1.49 0.00 1.28 -1.30 0.00 0.00 177.93 179.40 1pfl n LEU 134 N -3.63 0.38 -0.01 0.26 4.32 -0.42 0.16 117.00 118.06 1pfl n LEU 134 Ca -0.16 0.62 -0.20 0.00 -0.02 0.00 0.00 56.01 56.25 1pfl n LEU 134 Cb 1.08 -0.61 -0.14 0.00 -1.62 0.00 0.00 43.42 42.13 1pfl n LEU 134 CO 0.57 -0.57 -0.85 0.54 -1.22 0.00 0.00 177.39 175.86 1pfl n ARG 135 N -1.95 0.74 0.00 3.23 1.74 0.57 -3.44 116.66 117.54 1pfl n ARG 135 Ca 0.01 0.25 0.14 0.00 -0.77 0.00 0.00 57.85 57.48 1pfl n ARG 135 Cb 0.14 -1.69 0.75 0.00 -1.02 0.00 0.00 32.46 30.63 1pfl n ARG 135 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1pfl n ARG 136 N -3.43 0.54 0.11 5.56 1.74 -0.57 -2.66 116.66 117.95 1pfl n ARG 136 Ca -0.32 0.02 0.13 0.00 -0.77 0.00 0.00 57.85 56.90 1pfl n ARG 136 Cb 1.04 -1.50 0.37 0.00 -1.02 0.00 0.00 32.46 31.35 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 -0.20 0.55 4.64 0.15 -3.47 113.55 115.22 1pfl h SER 137 Ca 0.00 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 1pfl h SER 137 Cb 0.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 1pfl h SER 137 CO 0.00 0.01 -0.06 1.67 -0.87 0.00 0.00 176.83 177.58 1pfl n GLN 138 N -2.33 -0.20 0.00 4.77 7.27 -1.09 -5.06 117.38 120.75 1pfl n GLN 138 Ca 0.05 0.47 0.07 0.00 0.07 0.00 0.00 57.00 57.66 1pfl n GLN 138 Cb 0.44 -4.10 0.06 0.00 2.41 0.00 0.00 30.24 29.05 1pfl n GLN 138 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79