#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 2.05 0.26 0.00 0.00 -1.26 -4.53 105.19 101.71 1pfl n GLY 2 Ca 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 46.02 45.79 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 0.59 0.00 1.61 -0.00 -2.00 0.39 115.95 116.55 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 -0.16 -0.00 0.00 -0.00 0.00 0.00 29.16 29.00 1pfl h TRP 3 CO 0.00 0.21 -0.00 -0.91 -0.00 0.00 0.00 178.44 177.73 1pfl h ASN 4 N 0.57 0.00 -0.09 -3.49 4.21 -1.92 -0.26 115.58 114.60 1pfl h ASN 4 Ca 0.34 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.67 1pfl h ASN 4 Cb 0.36 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.56 1pfl h ASN 4 CO -0.27 0.00 -0.59 0.00 -1.29 0.00 0.00 177.43 175.29 1pfl h ALA 5 N 2.00 0.56 0.00 -0.83 0.00 -1.28 0.44 119.26 120.15 1pfl h ALA 5 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1pfl h ALA 5 Cb 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1pfl h ALA 5 CO 0.00 0.69 0.00 0.66 0.00 0.00 0.00 179.25 180.60 1pfl n TYR 6 N -3.96 0.44 0.02 0.00 4.01 -0.17 -0.53 117.16 116.97 1pfl n TYR 6 Ca -0.04 0.16 -0.01 0.00 -0.16 0.00 0.00 57.90 57.84 1pfl n TYR 6 Cb 0.64 -0.75 -0.09 0.00 -0.31 0.00 0.00 39.34 38.82 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 -1.89 1.23 0.34 -0.72 2.08 -0.74 -3.30 119.36 116.35 1pfl n ILE 7 Ca 0.04 -0.70 0.12 0.00 0.56 0.00 0.00 62.75 62.76 1pfl n ILE 7 Cb 0.27 -0.76 0.52 0.00 -0.75 0.00 0.00 39.64 38.92 1pfl n ILE 7 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1pfl n ASP 8 N -2.89 0.65 0.11 4.38 8.00 0.15 -2.81 116.55 124.13 1pfl n ASP 8 Ca -0.11 0.69 -0.04 0.00 0.71 0.00 0.00 54.79 56.04 1pfl n ASP 8 Cb 0.87 -0.82 -0.02 0.00 -0.02 0.00 0.00 41.12 41.13 1pfl n ASP 8 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1pfl h ASN 9 N 0.00 -0.25 -1.45 -2.24 -1.24 -1.34 0.23 115.58 109.29 1pfl h ASN 9 Ca 0.00 0.01 0.45 0.00 0.71 0.00 0.00 56.30 57.47 1pfl h ASN 9 Cb 0.27 0.06 -0.10 0.00 0.73 0.00 0.00 38.32 39.29 1pfl h ASN 9 CO 0.00 -0.16 0.99 -0.07 -1.29 0.00 0.00 177.43 176.90 1pfl h LEU 10 N -0.32 0.16 0.09 0.34 -0.00 -1.70 1.14 115.31 115.02 1pfl h LEU 10 Ca -0.03 0.08 -0.23 0.00 -0.00 0.00 0.00 57.88 57.70 1pfl h LEU 10 Cb 0.22 0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 40.95 1pfl h LEU 10 CO 0.05 -0.09 -1.15 0.24 -0.00 0.00 0.00 178.44 177.49 1pfl h MET 11 N 0.07 0.19 -0.02 1.13 2.86 -1.49 -3.35 114.93 114.32 1pfl h MET 11 Ca 0.80 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 58.12 1pfl h MET 11 Cb 2.77 0.12 0.00 0.00 0.06 0.00 0.00 31.60 34.56 1pfl h MET 11 CO -0.25 1.16 0.00 0.00 1.06 0.00 0.00 176.91 178.88 1pfl n ALA 12 N -2.95 2.63 1.27 6.32 0.00 0.78 -4.39 120.51 124.18 1pfl n ALA 12 Ca -0.23 -0.30 0.13 0.00 0.00 0.00 0.00 53.44 53.05 1pfl n ALA 12 Cb 0.81 -1.34 0.37 0.00 0.00 0.00 0.00 19.45 19.30 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 -0.48 1.27 -2.00 0.00 5.75 0.36 -4.96 116.55 116.49 1pfl n ASP 13 Ca 0.20 -1.11 -0.02 0.00 -0.01 0.00 0.00 54.79 53.86 1pfl n ASP 13 Cb 0.20 0.13 -0.00 0.00 -1.03 0.00 0.00 41.12 40.42 1pfl n ASP 13 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pfl n GLY 14 N 1.31 -0.34 1.75 6.12 0.00 -1.26 -4.04 105.19 108.73 1pfl n GLY 14 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.82 0.00 -2.35 2.61 -1.04 -1.26 -5.00 114.28 105.43 1pfl n THR 15 Ca 0.01 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.71 1pfl n THR 15 Cb 0.35 -0.09 -0.02 0.00 -1.82 0.00 0.00 70.33 68.75 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 -1.96 0.00 -4.62 0.00 0.00 -0.21 -4.63 117.38 105.96 1pfl n GLN 17 Ca 0.05 0.00 -0.32 0.00 -0.00 0.00 0.00 57.00 56.73 1pfl n GLN 17 Cb 0.54 -0.38 -0.06 0.00 0.00 0.00 0.00 30.24 30.34 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 -5.09 4.23 -0.29 1.69 2.15 -0.83 -4.88 116.67 113.64 1pfl s ASP 18 Ca 0.00 -1.60 -0.22 0.00 0.43 0.00 0.00 52.55 51.16 1pfl s ASP 18 Cb 0.00 0.55 0.14 0.00 -0.30 0.00 0.00 42.92 43.31 1pfl s ASP 18 CO 0.00 -0.92 1.06 0.00 -0.17 0.00 0.00 175.17 175.15 1pfl s ALA 19 N -2.87 -2.12 -0.23 3.66 0.00 -1.26 -1.16 121.76 117.78 1pfl s ALA 19 Ca 0.09 1.97 -0.03 0.00 0.00 0.00 0.00 51.96 53.98 1pfl s ALA 19 Cb 0.01 -1.58 0.10 0.00 0.00 0.00 0.00 23.12 21.64 1pfl s ALA 19 CO 0.05 -0.26 0.20 0.00 0.00 0.00 0.00 175.76 175.76 1pfl s ALA 20 N 0.59 -0.06 -0.25 0.00 0.00 -0.84 -1.70 121.76 119.50 1pfl s ALA 20 Ca -0.01 -0.17 -0.23 0.00 0.00 0.00 0.00 51.96 51.55 1pfl s ALA 20 Cb -0.04 -1.39 -0.01 0.00 0.00 0.00 0.00 23.12 21.67 1pfl s ALA 20 CO -0.10 -1.38 0.77 0.42 0.00 0.00 0.00 175.76 175.46 1pfl s ILE 21 N 2.27 4.88 -0.11 0.00 1.01 -0.88 -0.73 121.20 127.63 1pfl s ILE 21 Ca 0.07 1.42 -0.00 0.00 0.00 0.00 0.00 60.65 62.14 1pfl s ILE 21 Cb -0.15 -4.07 0.02 0.00 0.01 0.00 0.00 42.46 38.27 1pfl s ILE 21 CO -0.20 -0.06 -0.08 -0.69 0.00 0.00 0.00 174.94 173.91 1pfl s VAL 22 N 2.75 1.06 -1.05 2.92 1.01 -0.35 -0.31 120.40 126.43 1pfl s VAL 22 Ca 0.32 -0.31 -0.24 0.00 0.00 0.00 0.00 61.98 61.75 1pfl s VAL 22 Cb -0.15 -1.06 -0.07 0.00 0.00 0.00 0.00 36.38 35.09 1pfl s VAL 22 CO 0.08 0.37 1.95 -0.83 0.00 0.00 0.00 175.10 176.67 1pfl s GLY 23 N 1.65 0.14 -0.01 4.51 0.00 0.11 -1.11 107.32 112.61 1pfl s GLY 23 Ca 0.04 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 42.93 1pfl s GLY 23 CO -0.08 3.55 1.26 1.58 0.00 0.00 0.00 173.10 179.41 1pfl n TYR 24 N 14.34 0.09 0.00 1.90 4.11 -1.26 -0.98 117.16 135.35 1pfl n TYR 24 Ca 0.43 -0.66 0.00 0.00 -0.00 0.00 0.00 57.90 57.67 1pfl n TYR 24 Cb 0.47 -0.33 0.00 0.00 -0.00 0.00 0.00 39.34 39.48 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 0.69 1.64 -0.11 -3.48 4.01 -1.26 -4.78 118.16 114.86 1pfl n LYS 25 Ca 0.02 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.70 1pfl n LYS 25 Cb 0.53 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.98 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 -1.58 -3.61 4.39 2.03 -2.00 -3.34 116.42 112.31 1pfl h ASP 26 Ca 0.00 0.22 -0.63 0.00 -0.73 0.00 0.00 57.03 55.89 1pfl h ASP 26 Cb 0.00 0.66 -0.16 0.00 -0.83 0.00 0.00 39.33 39.00 1pfl h ASP 26 CO 0.00 -0.40 -0.53 -0.94 -1.03 0.00 0.00 179.24 176.34 1pfl s SER 27 N -5.02 5.90 0.63 4.15 1.04 -1.26 -5.01 113.70 114.12 1pfl s SER 27 Ca -0.15 0.04 -0.13 0.00 0.48 0.00 0.00 55.95 56.19 1pfl s SER 27 Cb 0.10 -2.06 -0.02 0.00 0.10 0.00 0.00 66.02 64.13 1pfl s SER 27 CO 0.64 0.05 1.05 -2.16 0.98 0.00 0.00 173.24 173.79 1pfl s PRO 28 N 1.16 3.28 0.11 4.02 0.04 -1.26 -4.71 135.00 137.65 1pfl s PRO 28 Ca 0.07 1.01 -0.21 0.00 0.04 0.00 0.00 61.00 61.90 1pfl s PRO 28 Cb -0.14 -2.03 0.06 0.00 0.04 0.00 0.00 34.50 32.42 1pfl s PRO 28 CO 0.05 -0.83 0.53 -1.54 0.04 0.00 0.00 177.00 175.25 1pfl s SER 29 N -3.43 -0.45 -0.62 6.66 1.04 -0.16 -4.93 113.70 111.81 1pfl s SER 29 Ca 0.59 -0.02 -0.16 0.00 0.48 0.00 0.00 55.95 56.85 1pfl s SER 29 Cb -0.14 0.54 0.14 0.00 0.10 0.00 0.00 66.02 66.66 1pfl s SER 29 CO 0.46 -0.86 0.62 -0.69 0.98 0.00 0.00 173.24 173.75 1pfl s VAL 30 N -3.35 5.20 0.18 5.02 1.01 -1.26 0.08 120.40 127.27 1pfl s VAL 30 Ca -0.00 -1.60 0.32 0.00 0.00 0.00 0.00 61.98 60.70 1pfl s VAL 30 Cb -0.00 -4.41 0.36 0.00 0.00 0.00 0.00 36.38 32.33 1pfl s VAL 30 CO -0.09 -0.98 1.99 -0.50 0.00 0.00 0.00 175.10 175.52 1pfl h TRP 31 N 8.72 0.00 0.00 5.22 4.06 -0.99 -3.42 115.95 129.54 1pfl h TRP 31 Ca -0.20 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.75 1pfl h TRP 31 Cb 1.08 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.24 1pfl h TRP 31 CO 0.83 0.05 0.00 0.00 -3.56 0.00 0.00 178.44 175.76 1pfl n ALA 32 N -2.13 0.00 -3.26 1.49 0.00 -0.53 -4.93 120.51 111.15 1pfl n ALA 32 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1pfl n ALA 32 Cb 0.30 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.59 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 2.10 -0.48 0.00 0.00 -1.26 -2.08 121.76 120.04 1pfl s ALA 33 Ca 0.00 -0.93 -0.33 0.00 0.00 0.00 0.00 51.96 50.70 1pfl s ALA 33 Cb 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 23.12 22.20 1pfl s ALA 33 CO 0.00 0.26 2.31 0.28 0.00 0.00 0.00 175.76 178.61 1pfl n VAL 34 N 3.57 0.11 -2.16 0.00 0.31 -0.69 -4.69 118.33 114.78 1pfl n VAL 34 Ca -0.19 -0.31 -0.33 0.00 -0.01 0.00 0.00 64.34 63.50 1pfl n VAL 34 Cb 0.53 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 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 7.01 3.40 0.00 5.55 0.04 -1.26 -3.88 135.00 145.86 1pfl s PRO 35 Ca 1.12 1.28 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1pfl s PRO 35 Cb -0.81 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 31.69 1pfl s PRO 35 CO 0.45 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 177.15 1pfl n GLY 36 N -0.71 1.22 0.00 0.56 0.00 -1.26 -4.96 105.19 100.04 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 -5.08 118.16 116.19 1pfl n LYS 37 Ca 0.00 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 1pfl n LYS 37 Cb 0.00 -0.36 0.00 0.00 -1.84 0.00 0.00 35.03 32.83 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 -1.91 0.00 -0.21 -0.18 -1.04 -1.26 -5.01 114.28 104.66 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 0.07 0.00 -1.82 0.00 0.00 70.33 68.58 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 0.68 -0.14 -1.42 -1.00 -1.86 -1.98 116.94 111.21 1pfl h PHE 39 Ca 0.00 0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.84 1pfl h PHE 39 Cb 0.00 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.34 1pfl h PHE 39 CO 0.00 0.37 0.25 -0.24 -1.61 0.00 0.00 178.31 177.08 1pfl h VAL 40 N 0.71 0.26 -0.04 -0.55 3.04 -1.84 0.14 116.25 117.97 1pfl h VAL 40 Ca 0.26 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.94 1pfl h VAL 40 Cb 0.07 0.78 -0.00 0.00 -2.01 0.00 0.00 31.29 30.13 1pfl h VAL 40 CO -0.12 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.03 1pfl n ASN 41 N -3.43 1.44 -4.65 3.17 3.02 -0.74 -4.77 115.26 109.29 1pfl n ASN 41 Ca 0.01 -2.07 -0.43 0.00 -0.03 0.00 0.00 54.58 52.07 1pfl n ASN 41 Cb 0.35 -0.51 -0.02 0.00 -0.61 0.00 0.00 39.78 38.98 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 -1.06 3.84 0.47 2.41 1.01 0.49 -4.45 121.20 123.91 1pfl s ILE 42 Ca 0.04 0.99 0.06 0.00 0.00 0.00 0.00 60.65 61.74 1pfl s ILE 42 Cb 0.03 -3.72 0.06 0.00 0.01 0.00 0.00 42.46 38.83 1pfl s ILE 42 CO 0.01 -0.18 0.46 0.35 0.00 0.00 0.00 174.94 175.58 1pfl n THR 43 N 5.78 0.00 1.26 2.92 -2.24 -1.26 -4.64 114.28 116.10 1pfl n THR 43 Ca 0.17 -1.77 0.09 0.00 -2.27 0.00 0.00 64.05 60.27 1pfl n THR 43 Cb 0.44 -0.27 0.52 0.00 -2.10 0.00 0.00 70.33 68.93 1pfl n THR 43 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1pfl n PRO 44 N -1.75 0.63 -0.04 -0.78 -0.04 -1.26 -1.77 135.00 129.99 1pfl n PRO 44 Ca 0.04 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.49 1pfl n PRO 44 Cb 0.52 -1.44 -0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 3.13 0.00 -0.24 0.55 0.00 -1.96 0.23 119.26 120.97 1pfl h ALA 45 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1pfl h ALA 45 Cb 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1pfl h ALA 45 CO 0.00 0.11 0.04 1.05 0.00 0.00 0.00 179.25 180.45 1pfl h GLU 46 N -0.63 0.34 0.00 0.00 9.09 -1.77 0.32 114.58 121.93 1pfl h GLU 46 Ca 0.00 -0.05 -0.09 0.00 0.05 0.00 0.00 59.36 59.27 1pfl h GLU 46 Cb 0.11 -0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 27.13 1pfl h GLU 46 CO 0.00 0.33 -0.44 0.28 0.05 0.00 0.00 179.01 179.23 1pfl h VAL 47 N 0.34 0.75 0.00 -1.06 2.07 -1.49 -2.15 116.25 114.71 1pfl h VAL 47 Ca 0.08 -2.06 -0.01 0.00 0.82 0.00 0.00 66.70 65.53 1pfl h VAL 47 Cb 0.16 2.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1pfl h VAL 47 CO -0.00 0.43 -0.06 1.23 0.02 0.00 0.00 177.57 179.19 1pfl h GLY 48 N 3.57 0.00 0.24 2.17 0.00 0.17 -0.34 103.07 108.87 1pfl h GLY 48 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.96 1pfl h GLY 48 CO 0.06 0.00 -2.25 1.55 0.00 0.00 0.00 176.54 175.89 1pfl n VAL 49 N -4.28 1.50 0.30 4.60 3.14 -1.08 0.05 118.33 122.56 1pfl n VAL 49 Ca -0.03 -0.75 0.17 0.00 -2.96 0.00 0.00 64.34 60.77 1pfl n VAL 49 Cb 0.14 -0.96 0.74 0.00 -1.06 0.00 0.00 33.84 32.70 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 0.01 0.00 0.00 6.55 3.38 -1.14 -3.31 115.31 120.80 1pfl h LEU 50 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 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 0.00 178.44 179.87 1pfl n VAL 51 N -2.90 0.00 -1.50 1.22 0.24 -0.16 -5.05 118.33 110.18 1pfl n VAL 51 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 1pfl n VAL 51 Cb 0.24 1.30 0.00 0.00 -1.47 0.00 0.00 33.84 33.91 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 -1.10 0.01 7.63 0.00 0.11 -4.81 105.19 107.03 1pfl n GLY 52 Ca 0.00 0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.19 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 0.53 0.02 -1.54 1.61 -0.00 -1.26 -4.81 118.16 112.71 1pfl n LYS 53 Ca 0.11 0.34 -0.49 0.00 -0.00 0.00 0.00 58.31 58.27 1pfl n LYS 53 Cb 0.38 -1.54 -0.04 0.00 -0.00 0.00 0.00 35.03 33.83 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 -1.58 0.80 -1.14 -5.58 -0.08 -1.26 -4.90 116.55 102.81 1pfl n ASP 54 Ca 0.02 1.15 -0.03 0.00 -1.51 0.00 0.00 54.79 54.43 1pfl n ASP 54 Cb 0.12 -1.16 0.21 0.00 2.34 0.00 0.00 41.12 42.64 1pfl n ASP 54 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1pfl n ARG 55 N 1.45 2.05 0.00 -0.67 1.74 -1.26 -4.83 116.66 115.13 1pfl n ARG 55 Ca 0.15 -3.11 0.00 0.00 -0.77 0.00 0.00 57.85 54.12 1pfl n ARG 55 Cb 0.24 -1.83 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 1pfl n ARG 55 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1pfl n SER 56 N -1.02 0.00 0.00 0.55 2.88 -1.26 -5.06 113.62 109.71 1pfl n SER 56 Ca 0.32 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1pfl n SER 56 Cb 1.03 0.04 0.00 0.00 -0.75 0.00 0.00 64.21 64.54 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 -1.22 0.00 0.21 -3.46 3.41 -1.26 -3.18 113.62 108.12 1pfl n SER 57 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 1pfl n SER 57 Cb 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.01 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 0.07 7.33 1.16 -1.26 -1.89 117.46 122.87 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 -0.04 0.04 0.00 -1.61 0.00 0.00 39.48 37.87 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 -2.37 0.00 0.00 2.97 4.01 -1.19 -1.19 117.16 119.38 1pfl n TYR 59 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1pfl n TYR 59 Cb 0.95 -0.41 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 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 -1.41 0.00 0.02 -0.72 0.24 -0.79 -4.74 118.33 110.92 1pfl n VAL 60 Ca 0.01 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.09 1pfl n VAL 60 Cb 0.02 -0.80 -0.14 0.00 -1.47 0.00 0.00 33.84 31.45 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 0.45 -4.59 -1.34 7.08 -1.66 -3.49 115.58 112.02 1pfl h ASN 61 Ca 0.00 -0.92 0.00 0.00 -3.08 0.00 0.00 56.30 52.30 1pfl h ASN 61 Cb 0.92 -0.15 0.00 0.00 -2.08 0.00 0.00 38.32 37.02 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 1.91 3.88 0.00 9.14 0.00 -0.34 -4.82 105.19 114.97 1pfl n GLY 62 Ca -0.30 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.61 -4.76 117.00 113.74 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 -0.03 0.28 0.42 -1.33 0.00 0.00 177.39 176.73 1pfl s THR 64 N -0.01 -0.14 -0.30 -5.08 -4.23 -1.26 -2.42 115.64 102.20 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 0.10 0.00 1.34 0.00 0.00 72.50 73.01 1pfl s THR 64 CO 0.00 0.01 0.11 -1.48 -0.54 0.00 0.00 174.62 172.72 1pfl s LEU 65 N 1.78 1.48 -0.39 4.79 0.05 -0.84 -4.24 118.68 121.30 1pfl s LEU 65 Ca -0.09 -1.49 -0.00 0.00 0.05 0.00 0.00 54.13 52.60 1pfl s LEU 65 Cb -0.07 -0.63 0.00 0.00 -2.05 0.00 0.00 46.19 43.44 1pfl s LEU 65 CO -0.19 -0.43 0.03 0.61 -0.55 0.00 0.00 176.35 175.83 1pfl n GLY 66 N 5.02 0.23 1.92 -3.48 0.00 -1.26 -2.62 105.19 105.01 1pfl n GLY 66 Ca -0.04 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.99 0.51 3.27 -0.02 0.00 -1.26 -4.83 105.19 101.87 1pfl n GLY 67 Ca -0.05 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.24 2.61 -0.34 1.61 2.00 -1.08 -5.04 119.66 119.18 1pfl s GLN 68 Ca 0.00 -1.49 -0.28 0.00 -2.00 0.00 0.00 55.36 51.59 1pfl s GLN 68 Cb 0.00 -3.81 -0.02 0.00 0.80 0.00 0.00 33.01 29.97 1pfl s GLN 68 CO 0.00 -0.98 1.87 0.21 -0.50 0.00 0.00 175.29 175.89 1pfl s LYS 69 N 1.43 3.23 0.03 1.67 2.20 -1.26 -2.00 119.74 125.05 1pfl s LYS 69 Ca 0.03 1.46 0.00 0.00 -0.36 0.00 0.00 55.97 57.11 1pfl s LYS 69 Cb -0.23 -4.24 0.00 0.00 -1.51 0.00 0.00 37.83 31.85 1pfl s LYS 69 CO 0.02 -1.98 0.04 0.00 -0.36 0.00 0.00 175.35 173.07 1pfl s SER 71 N -1.21 2.25 -0.10 0.00 1.04 0.13 -1.57 113.70 114.24 1pfl s SER 71 Ca 0.03 -0.71 -0.39 0.00 0.48 0.00 0.00 55.95 55.36 1pfl s SER 71 Cb -0.00 0.07 -0.17 0.00 0.10 0.00 0.00 66.02 66.02 1pfl s SER 71 CO 0.02 -0.38 1.49 0.52 0.98 0.00 0.00 173.24 175.87 1pfl n VAL 72 N 5.29 0.12 -3.36 5.02 0.31 -1.26 -1.50 118.33 122.94 1pfl n VAL 72 Ca -0.05 -0.02 -0.26 0.00 -0.01 0.00 0.00 64.34 64.00 1pfl n VAL 72 Cb 0.47 -0.88 -0.09 0.00 -0.91 0.00 0.00 33.84 32.44 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 3.32 -0.03 0.00 2.52 5.41 0.32 -4.81 119.36 126.09 1pfl n ILE 73 Ca 0.23 -4.17 0.00 0.00 1.00 0.00 0.00 62.75 59.81 1pfl n ILE 73 Cb 0.14 -1.93 0.00 0.00 -0.71 0.00 0.00 39.64 37.14 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 1.75 0.00 -2.11 0.38 3.00 -1.26 -3.45 116.66 114.97 1pfl n ARG 74 Ca 0.25 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.69 1pfl n ARG 74 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.91 1pfl n ARG 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1pfl s ASP 75 N -0.68 5.73 -0.14 6.15 -1.08 -1.26 -3.44 116.67 121.95 1pfl s ASP 75 Ca 0.00 0.74 0.23 0.00 -0.52 0.00 0.00 52.55 53.00 1pfl s ASP 75 Cb 0.00 -2.53 0.45 0.00 -1.46 0.00 0.00 42.92 39.38 1pfl s ASP 75 CO 0.00 -1.94 1.15 -1.20 0.52 0.00 0.00 175.17 173.70 1pfl n SER 76 N 10.99 1.10 0.14 -0.34 7.64 -0.53 -4.88 113.62 127.74 1pfl n SER 76 Ca 0.20 -2.02 0.12 0.00 1.01 0.00 0.00 58.87 58.18 1pfl n SER 76 Cb 0.49 -0.33 0.49 0.00 -1.01 0.00 0.00 64.21 63.86 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 1.73 0.00 -8.81 -3.43 5.85 -1.70 1.14 115.31 110.08 1pfl h LEU 77 Ca -0.21 0.00 -0.64 0.00 0.84 0.00 0.00 57.88 57.87 1pfl h LEU 77 Cb 1.56 0.00 -0.19 0.00 0.37 0.00 0.00 40.66 42.40 1pfl h LEU 77 CO 0.11 0.00 -0.58 -0.76 -0.34 0.00 0.00 178.44 176.88 1pfl s LEU 78 N -4.60 3.71 -0.25 2.25 1.43 -1.26 -4.24 118.68 115.72 1pfl s LEU 78 Ca 0.05 -0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 52.95 1pfl s LEU 78 Cb 0.10 -2.00 -0.12 0.00 0.03 0.00 0.00 46.19 44.20 1pfl s LEU 78 CO 0.43 -0.00 1.23 0.00 0.23 0.00 0.00 176.35 178.24 1pfl n GLN 79 N 4.72 0.02 -1.00 1.70 10.64 -1.26 -4.11 117.38 128.09 1pfl n GLN 79 Ca -0.15 -0.56 -0.05 0.00 -1.83 0.00 0.00 57.00 54.40 1pfl n GLN 79 Cb 0.52 -1.93 0.30 0.00 -0.86 0.00 0.00 30.24 28.26 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 8.64 4.73 0.00 2.61 2.03 -1.26 -4.75 116.55 128.55 1pfl n ASP 80 Ca 0.17 -3.24 0.00 0.00 0.52 0.00 0.00 54.79 52.24 1pfl n ASP 80 Cb 0.42 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 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 -0.21 1.64 2.14 0.27 0.00 -1.26 -4.96 105.19 102.81 1pfl n GLY 81 Ca 0.40 -0.12 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 -1.20 0.00 -0.72 1.61 4.71 -1.26 -5.02 120.64 118.76 1pfl n GLU 82 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 1pfl n GLU 82 Cb 0.05 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.47 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 -3.33 -0.08 -4.30 -0.32 -1.74 0.35 -4.91 117.46 103.13 1pfl n PHE 83 Ca 0.00 0.00 -0.33 0.00 -0.56 0.00 0.00 57.45 56.56 1pfl n PHE 83 Cb 0.00 -1.56 -0.09 0.00 1.52 0.00 0.00 39.48 39.35 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 -1.31 5.17 -0.04 5.98 1.04 0.12 -1.94 113.70 122.72 1pfl s SER 84 Ca 0.00 0.03 -0.00 0.00 0.48 0.00 0.00 55.95 56.46 1pfl s SER 84 Cb 0.00 -1.38 0.03 0.00 0.10 0.00 0.00 66.02 64.77 1pfl s SER 84 CO 0.00 0.30 -0.00 -0.32 0.98 0.00 0.00 173.24 174.20 1pfl s MET 85 N -1.42 0.43 -1.20 4.02 1.75 -0.25 -1.46 119.30 121.17 1pfl s MET 85 Ca 0.18 0.08 -0.12 0.00 -1.25 0.00 0.00 55.69 54.59 1pfl s MET 85 Cb -0.11 -0.66 0.20 0.00 2.84 0.00 0.00 34.83 37.09 1pfl s MET 85 CO 0.09 -0.18 1.43 -0.25 -0.65 0.00 0.00 175.02 175.46 1pfl n ASP 86 N 4.47 5.32 -4.52 1.11 9.92 -1.22 -1.27 116.55 130.36 1pfl n ASP 86 Ca -0.19 -3.03 -0.42 0.00 -0.53 0.00 0.00 54.79 50.62 1pfl n ASP 86 Cb 0.50 -1.51 -0.08 0.00 -0.64 0.00 0.00 41.12 39.39 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 0.59 4.58 0.08 0.64 -0.00 -0.42 0.12 118.68 124.27 1pfl s LEU 87 Ca 0.40 -0.36 0.05 0.00 -0.00 0.00 0.00 54.13 54.22 1pfl s LEU 87 Cb -0.02 -2.53 -0.04 0.00 -0.00 0.00 0.00 46.19 43.60 1pfl s LEU 87 CO -0.01 -0.58 -0.03 0.00 -0.00 0.00 0.00 176.35 175.74 1pfl s ARG 88 N 2.37 2.47 -0.34 1.48 1.70 -0.56 -1.62 118.95 124.45 1pfl s ARG 88 Ca 0.17 -0.85 -0.28 0.00 -0.47 0.00 0.00 55.73 54.29 1pfl s ARG 88 Cb -0.16 -2.49 -0.01 0.00 -0.57 0.00 0.00 34.95 31.72 1pfl s ARG 88 CO 0.15 0.54 1.73 0.95 -1.08 0.00 0.00 175.30 177.59 1pfl s THR 89 N -1.25 3.55 0.08 4.99 -4.23 0.31 0.19 115.64 119.28 1pfl s THR 89 Ca 0.24 0.56 -0.08 0.00 -1.18 0.00 0.00 61.69 61.23 1pfl s THR 89 Cb -0.11 -3.74 -0.06 0.00 1.34 0.00 0.00 72.50 69.93 1pfl s THR 89 CO 0.16 -0.47 0.37 -0.54 -0.54 0.00 0.00 174.62 173.60 1pfl s LYS 90 N 5.51 3.69 0.62 3.99 1.02 -1.26 -1.65 119.74 131.66 1pfl s LYS 90 Ca 0.77 0.06 -0.02 0.00 0.02 0.00 0.00 55.97 56.79 1pfl s LYS 90 Cb -0.21 -2.97 0.05 0.00 -0.52 0.00 0.00 37.83 34.18 1pfl s LYS 90 CO 0.34 0.55 0.89 0.45 -0.92 0.00 0.00 175.35 176.65 1pfl s SER 91 N -1.93 5.04 -0.28 2.83 0.15 -1.26 -4.94 113.70 113.31 1pfl s SER 91 Ca 0.34 0.19 -0.01 0.00 0.70 0.00 0.00 55.95 57.17 1pfl s SER 91 Cb -0.13 -0.96 0.17 0.00 -1.71 0.00 0.00 66.02 63.39 1pfl s SER 91 CO 0.19 -1.37 0.50 0.42 1.20 0.00 0.00 173.24 174.19 1pfl s THR 92 N -2.99 -0.83 0.00 6.45 -4.23 -1.26 -4.89 115.64 107.89 1pfl s THR 92 Ca 0.59 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 1pfl s THR 92 Cb -0.10 -0.93 0.00 0.00 1.34 0.00 0.00 72.50 72.81 1pfl s THR 92 CO 0.41 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 175.04 1pfl n GLY 93 N 5.40 0.77 2.22 3.99 0.00 -1.26 -4.40 105.19 111.91 1pfl n GLY 93 Ca -0.01 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.09 0.66 3.92 -0.02 0.00 -1.26 -5.02 105.19 103.38 1pfl n GLY 94 Ca 0.00 -0.60 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.36 3.14 -0.00 4.61 0.00 -1.26 -5.07 121.76 120.81 1pfl s ALA 95 Ca 0.00 -0.84 -0.17 0.00 0.00 0.00 0.00 51.96 50.95 1pfl s ALA 95 Cb 0.00 -2.65 -0.06 0.00 0.00 0.00 0.00 23.12 20.42 1pfl s ALA 95 CO 0.00 -1.23 0.48 -1.25 0.00 0.00 0.00 175.76 173.76 1pfl s PRO 96 N -5.23 4.10 0.50 0.00 0.04 -1.26 -4.67 135.00 128.48 1pfl s PRO 96 Ca 0.59 0.53 0.05 0.00 0.04 0.00 0.00 61.00 62.21 1pfl s PRO 96 Cb -0.11 -3.28 0.03 0.00 0.04 0.00 0.00 34.50 31.19 1pfl s PRO 96 CO 0.45 0.55 0.68 0.95 0.04 0.00 0.00 177.00 179.68 1pfl s THR 97 N -0.69 2.78 0.29 1.26 -4.23 -1.26 -4.51 115.64 109.27 1pfl s THR 97 Ca 0.26 -0.84 -0.14 0.00 -1.18 0.00 0.00 61.69 59.79 1pfl s THR 97 Cb -0.17 -2.93 0.01 0.00 1.34 0.00 0.00 72.50 70.75 1pfl s THR 97 CO 0.14 0.00 0.59 -0.36 -0.54 0.00 0.00 174.62 174.46 1pfl s PHE 98 N -2.57 0.29 0.03 3.99 0.08 -0.66 -4.67 117.98 114.48 1pfl s PHE 98 Ca 0.57 -0.71 -0.01 0.00 0.12 0.00 0.00 56.93 56.89 1pfl s PHE 98 Cb -0.10 0.39 -0.03 0.00 -0.57 0.00 0.00 43.02 42.72 1pfl s PHE 98 CO 0.36 -1.18 -0.02 -0.80 -0.10 0.00 0.00 175.22 173.48 1pfl s ASN 99 N -3.04 0.34 -0.00 1.36 -0.87 -1.17 -0.53 114.94 111.02 1pfl s ASN 99 Ca 0.20 -0.72 0.00 0.00 -1.57 0.00 0.00 52.86 50.77 1pfl s ASN 99 Cb -0.03 0.16 0.00 0.00 -0.02 0.00 0.00 41.25 41.36 1pfl s ASN 99 CO 0.11 -0.45 0.00 -0.69 -2.57 0.00 0.00 177.10 173.50 1pfl s VAL 100 N -2.63 0.02 -0.13 1.60 1.01 -0.64 -2.08 120.40 117.55 1pfl s VAL 100 Ca -0.05 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1pfl s VAL 100 Cb -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 36.38 36.30 1pfl s VAL 100 CO -0.05 0.02 -0.06 -0.89 0.00 0.00 0.00 175.10 174.12 1pfl s THR 101 N 0.12 3.71 -0.15 3.92 2.01 -0.05 -1.30 115.64 123.90 1pfl s THR 101 Ca -0.01 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.56 1pfl s THR 101 Cb -0.02 -2.59 0.02 0.00 0.01 0.00 0.00 72.50 69.93 1pfl s THR 101 CO -0.00 0.53 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.62 1pfl s VAL 102 N 0.02 1.59 0.28 3.82 1.01 -0.40 0.50 120.40 127.22 1pfl s VAL 102 Ca -0.01 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.40 1pfl s VAL 102 Cb -0.14 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1pfl s VAL 102 CO 0.03 0.46 0.15 0.42 0.00 0.00 0.00 175.10 176.15 1pfl s THR 103 N 1.48 3.86 -0.03 3.92 -4.23 0.71 -1.08 115.64 120.26 1pfl s THR 103 Ca 0.05 -1.58 -0.04 0.00 -1.18 0.00 0.00 61.69 58.94 1pfl s THR 103 Cb -0.13 -3.16 0.01 0.00 1.34 0.00 0.00 72.50 70.56 1pfl s THR 103 CO -0.11 -0.31 0.10 -0.75 -0.54 0.00 0.00 174.62 173.01 1pfl s LYS 104 N -3.82 0.17 0.00 3.99 2.47 -0.82 -0.29 119.74 121.45 1pfl s LYS 104 Ca 0.34 0.05 0.00 0.00 -1.56 0.00 0.00 55.97 54.80 1pfl s LYS 104 Cb -0.06 0.08 0.00 0.00 -1.46 0.00 0.00 37.83 36.38 1pfl s LYS 104 CO 0.23 -0.03 0.00 0.25 0.16 0.00 0.00 175.35 175.97 1pfl n THR 105 N 2.79 0.00 0.35 3.43 -2.24 -1.08 -4.78 114.28 112.75 1pfl n THR 105 Ca -0.14 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.75 1pfl n THR 105 Cb 0.59 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.80 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 0.56 0.00 3.42 -0.08 -1.08 -4.50 116.55 114.87 1pfl n ASP 106 Ca 0.00 -0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 1pfl n ASP 106 Cb 0.00 0.94 0.00 0.00 2.34 0.00 0.00 41.12 44.40 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 -2.19 -0.10 -4.40 -0.67 5.02 -1.22 -5.10 118.16 109.50 1pfl n LYS 107 Ca 0.00 -0.14 -0.20 0.00 -2.02 0.00 0.00 58.31 55.96 1pfl n LYS 107 Cb 0.49 -0.58 -0.10 0.00 -0.02 0.00 0.00 35.03 34.81 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 -0.02 1.04 -0.42 -0.18 -4.23 -1.26 -4.29 115.64 106.29 1pfl s THR 108 Ca 0.00 -2.01 0.02 0.00 -1.18 0.00 0.00 61.69 58.51 1pfl s THR 108 Cb 0.00 -2.66 0.14 0.00 1.34 0.00 0.00 72.50 71.32 1pfl s THR 108 CO 0.00 -0.08 0.24 -0.22 -0.54 0.00 0.00 174.62 174.02 1pfl s LEU 109 N -3.41 2.12 0.22 4.79 0.20 -0.26 -2.65 118.68 119.68 1pfl s LEU 109 Ca 0.35 -2.54 -0.24 0.00 0.69 0.00 0.00 54.13 52.39 1pfl s LEU 109 Cb 0.08 -0.81 -0.08 0.00 -0.43 0.00 0.00 46.19 44.94 1pfl s LEU 109 CO 0.14 -0.27 0.80 -0.69 -0.29 0.00 0.00 176.35 176.04 1pfl s VAL 110 N 0.52 4.38 0.13 1.68 1.01 0.60 -1.21 120.40 127.51 1pfl s VAL 110 Ca 0.19 1.62 0.06 0.00 0.00 0.00 0.00 61.98 63.85 1pfl s VAL 110 Cb -0.22 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1pfl s VAL 110 CO -0.01 0.35 -0.13 -0.76 0.00 0.00 0.00 175.10 174.55 1pfl s LEU 111 N -1.58 2.43 -0.25 3.92 1.43 0.09 -0.21 118.68 124.52 1pfl s LEU 111 Ca 0.41 -0.85 -0.03 0.00 -1.03 0.00 0.00 54.13 52.63 1pfl s LEU 111 Cb -0.20 -0.52 0.08 0.00 0.03 0.00 0.00 46.19 45.58 1pfl s LEU 111 CO 0.24 -0.17 0.10 -0.22 0.23 0.00 0.00 176.35 176.53 1pfl s LEU 112 N -2.58 0.95 0.06 1.79 2.96 0.18 -1.98 118.68 120.07 1pfl s LEU 112 Ca 0.10 -1.11 -0.08 0.00 -0.22 0.00 0.00 54.13 52.82 1pfl s LEU 112 Cb -0.04 -0.47 -0.05 0.00 0.50 0.00 0.00 46.19 46.12 1pfl s LEU 112 CO 0.03 -0.39 0.35 -0.32 -1.32 0.00 0.00 176.35 174.70 1pfl s MET 113 N 1.97 3.67 -0.28 1.98 -2.45 -0.31 -0.88 119.30 123.00 1pfl s MET 113 Ca 0.06 0.04 -0.18 0.00 -1.25 0.00 0.00 55.69 54.35 1pfl s MET 113 Cb -0.16 -3.00 0.11 0.00 1.25 0.00 0.00 34.83 33.02 1pfl s MET 113 CO -0.23 0.58 0.86 0.20 1.05 0.00 0.00 175.02 177.49 1pfl s GLY 114 N -1.86 -0.29 -0.27 2.11 0.00 -0.88 -1.04 107.32 105.08 1pfl s GLY 114 Ca 0.32 2.72 -0.03 0.00 0.00 0.00 0.00 44.72 47.74 1pfl s GLY 114 CO 0.19 2.33 0.52 0.54 0.00 0.00 0.00 173.10 176.67 1pfl s LYS 115 N 1.18 0.48 -0.53 2.90 1.02 -0.92 -3.07 119.74 120.80 1pfl s LYS 115 Ca -0.07 0.90 0.04 0.00 0.02 0.00 0.00 55.97 56.87 1pfl s LYS 115 Cb -0.04 0.23 0.13 0.00 -0.52 0.00 0.00 37.83 37.63 1pfl s LYS 115 CO -0.14 -0.55 0.27 -2.00 -0.92 0.00 0.00 175.35 172.02 1pfl s GLU 116 N 2.74 2.01 0.00 1.68 2.12 -1.26 -4.73 118.70 121.27 1pfl s GLU 116 Ca 0.13 -2.65 0.00 0.00 0.36 0.00 0.00 54.97 52.81 1pfl s GLU 116 Cb -0.15 -3.33 0.00 0.00 0.26 0.00 0.00 34.13 30.91 1pfl s GLU 116 CO -0.18 -1.12 0.00 0.41 -0.54 0.00 0.00 175.26 173.83 1pfl n GLY 117 N 3.07 0.00 0.37 -1.50 0.00 -1.26 -4.70 105.19 101.17 1pfl n GLY 117 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.01 0.06 0.06 1.61 3.14 -1.26 -4.93 118.33 116.01 1pfl n VAL 118 Ca 0.00 -0.02 -0.12 0.00 -2.96 0.00 0.00 64.34 61.25 1pfl n VAL 118 Cb 0.02 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 32.72 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 0.25 -0.20 0.00 1.45 2.76 -1.94 -3.42 115.15 114.06 1pfl h HIS 119 Ca -0.05 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 1pfl h HIS 119 Cb 0.15 0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.18 1pfl h HIS 119 CO 0.06 0.23 0.00 0.41 -1.30 0.00 0.00 177.93 177.33 1pfl n GLY 120 N 0.34 1.64 0.02 5.26 0.00 -1.26 -4.96 105.19 106.22 1pfl n GLY 120 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.81 -0.07 0.20 -0.02 0.00 -1.26 -4.12 105.19 99.11 1pfl n GLY 121 Ca 0.00 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.21 0.99 4.07 -1.98 -1.46 115.31 117.14 1pfl h LEU 122 Ca -0.08 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.56 1pfl h LEU 122 Cb 1.13 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.90 1pfl h LEU 122 CO -0.01 0.14 -1.48 0.40 -1.08 0.00 0.00 178.44 176.41 1pfl h ILE 123 N 0.00 1.27 0.00 1.22 2.04 -1.96 -1.69 117.51 118.39 1pfl h ILE 123 Ca -0.00 -2.75 -0.01 0.00 1.00 0.00 0.00 64.86 63.10 1pfl h ILE 123 Cb 1.04 2.97 -0.00 0.00 -0.74 0.00 0.00 36.82 40.09 1pfl h ILE 123 CO 0.02 0.83 -0.03 -1.13 0.00 0.00 0.00 178.15 177.84 1pfl h ASN 124 N 0.12 0.00 0.52 1.72 -0.73 -1.67 0.98 115.58 116.53 1pfl h ASN 124 Ca -0.25 0.00 -0.29 0.00 1.87 0.00 0.00 56.30 57.63 1pfl h ASN 124 Cb 2.12 0.00 0.01 0.00 0.27 0.00 0.00 38.32 40.72 1pfl h ASN 124 CO 0.24 0.03 -1.34 0.07 -0.37 0.00 0.00 177.43 176.07 1pfl h LYS 125 N 0.00 0.34 0.00 6.67 5.09 -1.13 -2.89 116.57 124.65 1pfl h LYS 125 Ca -0.00 -0.58 0.00 0.00 0.09 0.00 0.00 60.65 60.16 1pfl h LYS 125 Cb 0.06 0.21 0.00 0.00 0.10 0.00 0.00 32.23 32.60 1pfl h LYS 125 CO 0.00 1.27 0.00 1.63 -2.09 0.00 0.00 179.45 180.26 1pfl n LYS 126 N -3.57 0.18 -0.03 0.07 5.02 -0.62 -2.47 118.16 116.75 1pfl n LYS 126 Ca -0.11 0.15 -0.11 0.00 -2.02 0.00 0.00 58.31 56.22 1pfl n LYS 126 Cb 1.05 -1.71 -0.14 0.00 -0.02 0.00 0.00 35.03 34.20 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 0.01 0.43 0.12 0.00 5.03 -1.45 -1.10 116.97 120.02 1pfl h TYR 128 Ca -0.35 -0.06 -0.31 0.00 2.58 0.00 0.00 58.73 60.59 1pfl h TYR 128 Cb 2.05 -0.12 -0.00 0.00 1.55 0.00 0.00 36.73 40.20 1pfl h TYR 128 CO 0.01 0.51 -1.53 0.93 -1.32 0.00 0.00 178.16 176.76 1pfl h GLU 129 N 0.38 0.26 -0.59 1.82 5.08 -1.56 -0.56 114.58 119.41 1pfl h GLU 129 Ca 0.07 -0.45 0.02 0.00 -1.00 0.00 0.00 59.36 58.01 1pfl h GLU 129 Cb 0.43 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1pfl h GLU 129 CO 0.02 1.13 0.37 1.98 -1.00 0.00 0.00 179.01 181.52 1pfl h MET 130 N 0.07 0.71 0.00 2.33 4.05 -1.15 -0.27 114.93 120.67 1pfl h MET 130 Ca -0.24 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.13 1pfl h MET 130 Cb 2.02 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 32.66 1pfl h MET 130 CO 0.17 0.47 0.00 0.00 0.23 0.00 0.00 176.91 177.78 1pfl h ALA 131 N 1.25 1.00 -0.29 0.39 0.00 -1.30 -3.07 119.26 117.24 1pfl h ALA 131 Ca 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1pfl h ALA 131 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1pfl h ALA 131 CO -0.09 0.00 0.18 0.77 0.00 0.00 0.00 179.25 180.10 1pfl h SER 132 N 0.00 0.34 0.07 0.00 0.02 0.64 0.41 113.55 115.03 1pfl h SER 132 Ca 0.00 -0.01 -0.20 0.00 -0.84 0.00 0.00 61.79 60.73 1pfl h SER 132 Cb 0.96 -0.09 0.02 0.00 0.14 0.00 0.00 62.40 63.43 1pfl h SER 132 CO 0.00 0.26 -0.84 -0.74 -1.14 0.00 0.00 176.83 174.37 1pfl h HIS 133 N 0.40 0.72 0.00 3.45 2.76 -1.40 -1.82 115.15 119.26 1pfl h HIS 133 Ca 0.11 -0.44 0.00 0.00 -2.20 0.00 0.00 60.37 57.84 1pfl h HIS 133 Cb -0.02 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 28.88 1pfl h HIS 133 CO 0.00 1.29 0.00 1.28 -1.30 0.00 0.00 177.93 179.20 1pfl n LEU 134 N -4.07 0.37 0.01 0.26 4.32 -0.50 0.10 117.00 117.49 1pfl n LEU 134 Ca -0.12 0.62 -0.17 0.00 -0.02 0.00 0.00 56.01 56.32 1pfl n LEU 134 Cb 0.80 -0.61 -0.14 0.00 -1.62 0.00 0.00 43.42 41.85 1pfl n LEU 134 CO 0.51 -0.57 -0.65 0.03 -1.22 0.00 0.00 177.39 175.48 1pfl h ARG 135 N 0.00 0.20 -0.00 3.23 2.47 -0.15 -3.20 114.38 116.93 1pfl h ARG 135 Ca 0.00 -0.34 0.00 0.00 -1.26 0.00 0.00 59.98 58.38 1pfl h ARG 135 Cb 0.19 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 1pfl h ARG 135 CO 0.00 1.00 -0.02 0.54 0.56 0.00 0.00 179.97 182.06 1pfl n ARG 136 N -3.36 0.71 0.14 0.04 1.74 -0.10 -2.89 116.66 112.94 1pfl n ARG 136 Ca -0.25 -0.07 0.12 0.00 -0.77 0.00 0.00 57.85 56.88 1pfl n ARG 136 Cb 1.05 -1.50 0.15 0.00 -1.02 0.00 0.00 32.46 31.14 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 0.16 0.00 -0.68 0.55 4.64 0.72 -3.48 113.55 115.47 1pfl h SER 137 Ca 0.00 -0.04 -0.24 0.00 -0.47 0.00 0.00 61.79 61.04 1pfl h SER 137 Cb 0.20 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.20 1pfl h SER 137 CO 0.00 0.02 -0.23 0.00 -0.87 0.00 0.00 176.83 175.75 1pfl n GLN 138 N -2.68 -0.84 0.00 4.77 6.02 -1.14 -5.06 117.38 118.44 1pfl n GLN 138 Ca 0.03 0.89 0.14 0.00 -0.01 0.00 0.00 57.00 58.04 1pfl n GLN 138 Cb 0.51 -4.91 0.51 0.00 1.02 0.00 0.00 30.24 27.37 1pfl n GLN 138 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71