#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 1.11 0.24 0.00 0.00 -1.26 -4.93 105.19 100.36 1pfl n GLY 2 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.14 -0.01 1.61 -0.00 -2.00 0.55 115.95 115.96 1pfl h TRP 3 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 58.89 58.94 1pfl h TRP 3 Cb 0.00 0.16 -0.00 0.00 -0.00 0.00 0.00 29.16 29.32 1pfl h TRP 3 CO 0.00 -0.21 0.02 -0.91 -0.00 0.00 0.00 178.44 177.34 1pfl h ASN 4 N 0.07 0.00 0.16 -3.49 2.35 -1.94 -0.35 115.58 112.38 1pfl h ASN 4 Ca 0.33 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.84 1pfl h ASN 4 Cb 0.53 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.90 1pfl h ASN 4 CO -0.58 0.00 -0.92 0.00 -1.65 0.00 0.00 177.43 174.28 1pfl h ALA 5 N 1.97 0.32 0.00 -0.83 0.00 -1.25 0.36 119.26 119.83 1pfl h ALA 5 Ca 0.01 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1pfl h ALA 5 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1pfl h ALA 5 CO -0.00 0.75 0.00 0.66 0.00 0.00 0.00 179.25 180.66 1pfl n TYR 6 N -3.82 0.30 0.01 0.00 4.01 -0.24 -0.53 117.16 116.90 1pfl n TYR 6 Ca -0.08 0.10 -0.02 0.00 -0.16 0.00 0.00 57.90 57.75 1pfl n TYR 6 Cb 0.82 -0.67 -0.10 0.00 -0.31 0.00 0.00 39.34 39.08 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 -1.76 1.26 0.30 -0.72 2.08 -0.63 -3.38 119.36 116.51 1pfl n ILE 7 Ca 0.05 -0.72 0.18 0.00 0.56 0.00 0.00 62.75 62.81 1pfl n ILE 7 Cb 0.27 -0.77 0.83 0.00 -0.75 0.00 0.00 39.64 39.22 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 0.03 4.38 5.19 0.23 -2.31 116.42 123.94 1pfl h ASP 8 Ca -0.20 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.23 1pfl h ASP 8 Cb 1.69 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 41.15 1pfl h ASP 8 CO 0.05 0.00 -0.37 -1.13 -3.12 0.00 0.00 179.24 174.67 1pfl h ASN 9 N 0.00 -1.11 -0.97 6.45 -1.24 -1.37 0.45 115.58 117.78 1pfl h ASN 9 Ca 0.00 0.14 0.18 0.00 0.71 0.00 0.00 56.30 57.33 1pfl h ASN 9 Cb 0.23 0.44 -0.10 0.00 0.73 0.00 0.00 38.32 39.61 1pfl h ASN 9 CO 0.00 -0.43 0.57 -0.07 -1.29 0.00 0.00 177.43 176.21 1pfl h LEU 10 N -0.55 0.73 0.01 0.34 -0.00 -1.62 0.63 115.31 114.85 1pfl h LEU 10 Ca 0.05 0.10 -0.25 0.00 -0.00 0.00 0.00 57.88 57.77 1pfl h LEU 10 Cb 0.62 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.24 1pfl h LEU 10 CO -0.27 0.27 -1.12 0.24 -0.00 0.00 0.00 178.44 177.56 1pfl h MET 11 N 0.74 0.25 -0.00 1.13 2.86 -1.27 -3.21 114.93 115.44 1pfl h MET 11 Ca 0.55 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1pfl h MET 11 Cb 0.84 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.63 1pfl h MET 11 CO -0.38 1.14 -0.09 0.00 1.06 0.00 0.00 176.91 178.65 1pfl n ALA 12 N -2.51 2.72 1.02 6.32 0.00 0.15 -4.26 120.51 123.95 1pfl n ALA 12 Ca -0.07 -0.26 0.12 0.00 0.00 0.00 0.00 53.44 53.24 1pfl n ALA 12 Cb 0.95 -1.36 0.08 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.95 2.60 -2.32 0.00 5.68 0.19 -4.97 116.55 116.78 1pfl n ASP 13 Ca 0.15 -1.80 -0.10 0.00 -0.50 0.00 0.00 54.79 52.54 1pfl n ASP 13 Cb 0.27 0.17 -0.02 0.00 -1.14 0.00 0.00 41.12 40.40 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 1.37 -0.28 0.00 6.12 0.00 -1.26 -4.25 105.19 106.90 1pfl n GLY 14 Ca 0.12 0.02 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 -1.93 0.00 -0.57 2.61 -1.04 -1.26 -5.01 114.28 107.08 1pfl n THR 15 Ca 0.03 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.95 1pfl n THR 15 Cb 0.29 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 68.87 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 -2.53 0.00 -3.05 0.00 0.00 0.34 -3.82 117.38 108.32 1pfl n GLN 17 Ca 0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 57.00 56.94 1pfl n GLN 17 Cb 0.17 -0.16 -0.03 0.00 0.00 0.00 0.00 30.24 30.21 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 -1.81 0.48 -3.63 1.69 2.03 -1.14 -4.95 116.55 109.21 1pfl n ASP 18 Ca 0.00 -1.98 -0.02 0.00 0.52 0.00 0.00 54.79 53.31 1pfl n ASP 18 Cb 0.00 0.59 -0.06 0.00 -0.72 0.00 0.00 41.12 40.92 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 -2.55 -2.35 -0.20 -1.67 0.00 -1.26 -1.41 121.76 112.32 1pfl s ALA 19 Ca 0.13 2.17 -0.04 0.00 0.00 0.00 0.00 51.96 54.22 1pfl s ALA 19 Cb 0.01 -1.77 0.07 0.00 0.00 0.00 0.00 23.12 21.43 1pfl s ALA 19 CO 0.09 -0.39 0.08 0.00 0.00 0.00 0.00 175.76 175.54 1pfl s ALA 20 N 1.39 0.71 -0.32 0.00 0.00 -0.72 -1.87 121.76 120.96 1pfl s ALA 20 Ca -0.08 -0.62 -0.21 0.00 0.00 0.00 0.00 51.96 51.05 1pfl s ALA 20 Cb -0.04 -1.16 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 1pfl s ALA 20 CO -0.15 -1.26 0.65 0.42 0.00 0.00 0.00 175.76 175.42 1pfl s ILE 21 N 2.01 4.91 -0.22 0.00 1.01 -0.85 -0.26 121.20 127.80 1pfl s ILE 21 Ca 0.02 0.83 0.01 0.00 0.00 0.00 0.00 60.65 61.51 1pfl s ILE 21 Cb -0.16 -4.03 0.05 0.00 0.01 0.00 0.00 42.46 38.33 1pfl s ILE 21 CO -0.13 -0.19 -0.06 -0.69 0.00 0.00 0.00 174.94 173.86 1pfl s VAL 22 N 2.67 1.50 -0.94 2.92 1.01 -0.22 -0.52 120.40 126.82 1pfl s VAL 22 Ca 0.26 -1.10 -0.25 0.00 0.00 0.00 0.00 61.98 60.88 1pfl s VAL 22 Cb -0.15 -1.72 -0.12 0.00 0.00 0.00 0.00 36.38 34.39 1pfl s VAL 22 CO 0.13 -0.02 2.15 -0.83 0.00 0.00 0.00 175.10 176.53 1pfl s GLY 23 N 1.42 -0.45 -0.14 4.51 0.00 0.17 -1.72 107.32 111.12 1pfl s GLY 23 Ca -0.04 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.34 1pfl s GLY 23 CO -0.07 3.93 1.54 1.58 0.00 0.00 0.00 173.10 180.08 1pfl n TYR 24 N 16.91 0.81 0.00 1.90 4.11 -1.26 -1.07 117.16 138.57 1pfl n TYR 24 Ca 0.44 -1.11 0.00 0.00 -0.00 0.00 0.00 57.90 57.22 1pfl n TYR 24 Cb 0.45 -0.55 0.00 0.00 -0.00 0.00 0.00 39.34 39.24 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 0.39 1.53 -0.29 -3.48 4.01 -1.26 -4.69 118.16 114.36 1pfl n LYS 25 Ca 0.16 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.87 1pfl n LYS 25 Cb 0.70 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 35.17 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 -1.76 -3.65 4.39 2.03 -2.01 -3.30 116.42 112.12 1pfl h ASP 26 Ca 0.00 0.28 -0.65 0.00 -0.73 0.00 0.00 57.03 55.93 1pfl h ASP 26 Cb 0.00 0.80 -0.23 0.00 -0.83 0.00 0.00 39.33 39.07 1pfl h ASP 26 CO 0.00 -0.31 -0.61 -0.94 -1.03 0.00 0.00 179.24 176.35 1pfl s SER 27 N -5.29 5.22 0.58 4.15 1.04 -1.26 -5.03 113.70 113.11 1pfl s SER 27 Ca -0.13 -0.27 -0.14 0.00 0.48 0.00 0.00 55.95 55.89 1pfl s SER 27 Cb 0.13 -1.94 -0.05 0.00 0.10 0.00 0.00 66.02 64.26 1pfl s SER 27 CO 0.65 -0.06 1.02 -2.16 0.98 0.00 0.00 173.24 173.67 1pfl s PRO 28 N 1.61 3.61 0.04 4.02 0.04 -1.25 -4.74 135.00 138.34 1pfl s PRO 28 Ca 0.06 0.94 -0.27 0.00 0.04 0.00 0.00 61.00 61.77 1pfl s PRO 28 Cb -0.15 -2.08 0.08 0.00 0.04 0.00 0.00 34.50 32.38 1pfl s PRO 28 CO 0.04 -0.55 0.72 -1.54 0.04 0.00 0.00 177.00 175.70 1pfl s SER 29 N -3.41 -0.54 -0.61 6.66 1.04 -0.23 -4.83 113.70 111.77 1pfl s SER 29 Ca 0.59 0.23 -0.23 0.00 0.48 0.00 0.00 55.95 57.01 1pfl s SER 29 Cb -0.12 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.57 1pfl s SER 29 CO 0.41 -0.74 0.97 -0.69 0.98 0.00 0.00 173.24 174.17 1pfl s VAL 30 N -2.68 4.32 0.18 5.02 1.01 -1.26 0.45 120.40 127.44 1pfl s VAL 30 Ca -0.02 -0.02 0.28 0.00 0.00 0.00 0.00 61.98 62.22 1pfl s VAL 30 Cb -0.01 -4.63 0.30 0.00 0.00 0.00 0.00 36.38 32.05 1pfl s VAL 30 CO -0.05 -1.32 1.93 -0.50 0.00 0.00 0.00 175.10 175.17 1pfl h TRP 31 N 9.47 0.00 0.00 5.22 4.06 -1.12 -3.42 115.95 130.16 1pfl h TRP 31 Ca -0.28 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.67 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 0.95 0.13 0.00 0.00 -3.56 0.00 0.00 178.44 175.96 1pfl n ALA 32 N -2.19 0.00 -2.88 1.49 0.00 -0.38 -4.95 120.51 111.60 1pfl n ALA 32 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1pfl n ALA 32 Cb 0.35 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.66 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 2.57 -0.69 0.00 0.00 -1.26 -2.01 121.76 120.37 1pfl s ALA 33 Ca 0.00 -0.93 -0.31 0.00 0.00 0.00 0.00 51.96 50.71 1pfl s ALA 33 Cb 0.00 -1.07 -0.15 0.00 0.00 0.00 0.00 23.12 21.90 1pfl s ALA 33 CO 0.00 0.36 2.48 0.28 0.00 0.00 0.00 175.76 178.88 1pfl n VAL 34 N 3.11 0.01 -2.03 0.00 0.31 -0.78 -4.76 118.33 114.19 1pfl n VAL 34 Ca -0.18 -0.29 -0.37 0.00 -0.01 0.00 0.00 64.34 63.50 1pfl n VAL 34 Cb 0.52 -1.39 0.02 0.00 -0.91 0.00 0.00 33.84 32.08 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 8.07 3.21 0.00 5.55 0.04 -1.26 -3.20 135.00 147.40 1pfl s PRO 35 Ca 1.19 1.89 0.00 0.00 0.04 0.00 0.00 61.00 64.12 1pfl s PRO 35 Cb -0.88 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 31.54 1pfl s PRO 35 CO 0.43 -1.03 0.00 0.41 0.04 0.00 0.00 177.00 176.85 1pfl n GLY 36 N 0.53 0.84 0.00 0.56 0.00 -1.26 -4.98 105.19 100.88 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 -1.19 -5.09 118.16 116.25 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 -0.06 0.00 0.00 -1.84 0.00 0.00 35.03 33.13 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 -0.36 0.00 -0.06 -0.18 -1.04 -1.26 -4.99 114.28 106.40 1pfl n THR 38 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 1pfl n THR 38 Cb 0.00 0.00 0.32 0.00 -1.82 0.00 0.00 70.33 68.83 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 0.65 -0.01 -1.42 0.04 -1.85 -2.04 116.94 112.31 1pfl h PHE 39 Ca 0.00 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1pfl h PHE 39 Cb 0.00 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 37.94 1pfl h PHE 39 CO 0.00 0.50 0.11 -0.24 -0.60 0.00 0.00 178.31 178.08 1pfl h VAL 40 N 0.66 0.05 -0.46 -0.55 3.04 -1.85 0.38 116.25 117.52 1pfl h VAL 40 Ca 0.16 0.00 -0.22 0.00 -1.01 0.00 0.00 66.70 65.63 1pfl h VAL 40 Cb 0.11 0.90 -0.13 0.00 -2.01 0.00 0.00 31.29 30.15 1pfl h VAL 40 CO -0.02 0.00 0.28 0.59 -1.01 0.00 0.00 177.57 177.41 1pfl n ASN 41 N -3.11 3.36 -4.73 3.17 4.13 -0.77 -4.72 115.26 112.60 1pfl n ASN 41 Ca -0.02 -2.74 -0.41 0.00 1.68 0.00 0.00 54.58 53.08 1pfl n ASN 41 Cb 0.17 -0.66 -0.04 0.00 -1.54 0.00 0.00 39.78 37.72 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 -1.64 4.30 0.47 2.41 1.01 0.13 -4.55 121.20 123.34 1pfl s ILE 42 Ca 0.28 1.86 0.02 0.00 0.00 0.00 0.00 60.65 62.81 1pfl s ILE 42 Cb 0.23 -4.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.49 1pfl s ILE 42 CO 0.06 0.26 0.03 0.42 0.00 0.00 0.00 174.94 175.71 1pfl s THR 43 N 0.19 1.09 -2.00 2.92 -4.23 -1.26 -4.70 115.64 107.66 1pfl s THR 43 Ca 0.50 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.19 1pfl s THR 43 Cb -0.26 -2.29 0.51 0.00 1.34 0.00 0.00 72.50 71.81 1pfl s THR 43 CO 0.31 0.00 1.48 -0.81 -0.54 0.00 0.00 174.62 175.06 1pfl n PRO 44 N -1.14 0.61 -0.03 3.99 -0.04 -1.26 -1.71 135.00 135.41 1pfl n PRO 44 Ca -0.15 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.30 1pfl n PRO 44 Cb 0.66 -1.46 -0.00 0.00 -0.04 0.00 0.00 33.50 32.66 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 3.14 0.00 0.00 0.55 0.00 -1.96 0.16 119.26 121.15 1pfl h ALA 45 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1pfl h ALA 45 Cb 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1pfl h ALA 45 CO 0.00 0.15 -0.06 1.05 0.00 0.00 0.00 179.25 180.40 1pfl h GLU 46 N -0.54 0.00 0.00 0.00 9.09 -1.81 0.19 114.58 121.51 1pfl h GLU 46 Ca 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.32 1pfl h GLU 46 Cb 0.15 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.24 1pfl h GLU 46 CO 0.00 0.06 -0.78 0.28 0.05 0.00 0.00 179.01 178.62 1pfl h VAL 47 N 0.00 0.51 0.00 -1.06 2.07 -1.47 -2.83 116.25 113.47 1pfl h VAL 47 Ca -0.00 -1.81 -0.02 0.00 0.82 0.00 0.00 66.70 65.69 1pfl h VAL 47 Cb 0.11 2.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1pfl h VAL 47 CO 0.01 0.29 -0.08 1.23 0.02 0.00 0.00 177.57 179.04 1pfl h GLY 48 N 3.70 0.00 0.36 2.17 0.00 0.15 0.04 103.07 109.49 1pfl h GLY 48 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.92 1pfl h GLY 48 CO 0.04 0.00 -2.17 1.55 0.00 0.00 0.00 176.54 175.96 1pfl n VAL 49 N -4.33 1.56 0.31 4.60 3.14 -1.12 -0.48 118.33 122.01 1pfl n VAL 49 Ca -0.03 -0.72 0.16 0.00 -2.96 0.00 0.00 64.34 60.79 1pfl n VAL 49 Cb 0.16 -1.13 0.69 0.00 -1.06 0.00 0.00 33.84 32.49 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 0.02 0.00 0.00 6.55 3.38 -1.23 -3.37 115.31 120.66 1pfl h LEU 50 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1pfl h LEU 50 Cb 2.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.81 1pfl h LEU 50 CO 0.02 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.88 1pfl n VAL 51 N -2.71 0.00 0.00 1.22 0.24 -0.02 -4.99 118.33 112.06 1pfl n VAL 51 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1pfl n VAL 51 Cb 0.22 0.57 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 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 -3.11 0.00 7.63 0.00 0.37 -4.50 105.19 105.57 1pfl n GLY 52 Ca 0.00 -0.41 0.09 0.00 0.00 0.00 0.00 46.02 45.70 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 0.56 0.00 1.61 -0.00 -1.26 -4.93 118.16 114.14 1pfl n LYS 53 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1pfl n LYS 53 Cb 0.00 -1.49 0.00 0.00 -0.00 0.00 0.00 35.03 33.54 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 -0.99 0.00 0.00 -5.58 2.03 -1.26 -4.66 116.55 106.08 1pfl n ASP 54 Ca 0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.44 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 0.08 -0.67 0.63 -1.26 -4.95 116.66 110.49 1pfl n ARG 55 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1pfl n ARG 55 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1pfl n ARG 55 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1pfl n SER 56 N 0.00 -1.36 0.00 6.15 2.88 -1.26 -5.08 113.62 114.95 1pfl n SER 56 Ca 0.00 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 1pfl n SER 56 Cb 0.01 1.52 0.00 0.00 -0.75 0.00 0.00 64.21 64.99 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 -2.94 0.00 0.19 -3.46 3.41 -1.26 -2.82 113.62 106.74 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 0.14 7.33 1.16 -1.26 -2.45 117.46 122.38 1pfl n PHE 58 Ca 0.00 0.00 0.07 0.00 -1.87 0.00 0.00 57.45 55.65 1pfl n PHE 58 Cb 0.00 0.00 0.40 0.00 -1.61 0.00 0.00 39.48 38.27 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 -1.79 0.49 -0.12 2.97 4.01 -1.13 -0.61 117.16 120.98 1pfl n TYR 59 Ca 0.00 0.26 -0.17 0.00 -0.16 0.00 0.00 57.90 57.83 1pfl n TYR 59 Cb 0.74 -0.79 -0.12 0.00 -0.31 0.00 0.00 39.34 38.86 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 -2.05 1.45 -0.07 -0.72 0.24 -1.03 -4.54 118.33 111.62 1pfl n VAL 60 Ca -0.01 -0.59 -0.06 0.00 -2.04 0.00 0.00 64.34 61.65 1pfl n VAL 60 Cb 0.20 -1.31 -0.03 0.00 -1.47 0.00 0.00 33.84 31.23 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 0.00 -3.07 -1.34 7.08 -1.46 -3.50 115.58 113.30 1pfl h ASN 61 Ca -0.57 -0.17 0.00 0.00 -3.08 0.00 0.00 56.30 52.49 1pfl h ASN 61 Cb 1.92 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.16 1pfl h ASN 61 CO -0.08 0.76 0.00 0.61 -2.08 0.00 0.00 177.43 176.65 1pfl n GLY 62 N 1.66 4.32 0.00 9.14 0.00 0.22 -4.74 105.19 115.79 1pfl n GLY 62 Ca -0.07 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.63 0.99 4.77 0.21 -4.71 117.00 114.62 1pfl n LEU 63 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 1pfl n LEU 63 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1pfl n LEU 63 CO 0.00 -0.10 0.34 0.42 -1.33 0.00 0.00 177.39 176.72 1pfl s THR 64 N -0.02 -0.41 -0.32 -5.08 -4.23 -1.26 -2.22 115.64 102.10 1pfl s THR 64 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.52 1pfl s THR 64 Cb 0.00 -1.00 0.10 0.00 1.34 0.00 0.00 72.50 72.94 1pfl s THR 64 CO 0.00 0.00 0.07 -1.48 -0.54 0.00 0.00 174.62 172.67 1pfl s LEU 65 N 2.15 3.37 -0.19 4.79 2.34 -1.04 -4.40 118.68 125.70 1pfl s LEU 65 Ca -0.08 -1.85 0.00 0.00 0.06 0.00 0.00 54.13 52.26 1pfl s LEU 65 Cb -0.08 -1.21 0.00 0.00 -0.56 0.00 0.00 46.19 44.34 1pfl s LEU 65 CO -0.19 -0.39 0.00 0.61 -1.06 0.00 0.00 176.35 175.31 1pfl n GLY 66 N 4.58 0.47 1.05 -3.48 0.00 -1.26 -2.70 105.19 103.85 1pfl n GLY 66 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.38 0.76 3.39 -0.02 0.00 -1.26 -4.73 105.19 100.95 1pfl n GLY 67 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 1pfl n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pfl s GLN 68 N -0.52 3.06 -0.41 1.61 -0.44 -1.10 -5.00 119.66 116.86 1pfl s GLN 68 Ca 0.00 -1.20 -0.27 0.00 -2.50 0.00 0.00 55.36 51.40 1pfl s GLN 68 Cb 0.00 -4.25 -0.05 0.00 -1.64 0.00 0.00 33.01 27.07 1pfl s GLN 68 CO 0.00 -1.57 2.25 0.21 0.50 0.00 0.00 175.29 176.68 1pfl s LYS 69 N 2.94 2.55 0.35 1.67 2.47 -1.26 -2.50 119.74 125.96 1pfl s LYS 69 Ca 0.14 1.50 0.08 0.00 -1.56 0.00 0.00 55.97 56.13 1pfl s LYS 69 Cb -0.22 -4.47 -0.04 0.00 -1.46 0.00 0.00 37.83 31.64 1pfl s LYS 69 CO 0.07 -2.77 0.20 0.00 0.16 0.00 0.00 175.35 173.01 1pfl s SER 71 N -3.91 2.69 0.14 0.00 1.04 -0.79 0.64 113.70 113.51 1pfl s SER 71 Ca 0.40 -0.57 -0.33 0.00 0.48 0.00 0.00 55.95 55.92 1pfl s SER 71 Cb -0.02 -0.93 -0.17 0.00 0.10 0.00 0.00 66.02 64.99 1pfl s SER 71 CO 0.24 -0.16 0.99 0.52 0.98 0.00 0.00 173.24 175.81 1pfl n VAL 72 N 4.87 0.94 -3.33 5.02 0.31 -1.26 -1.78 118.33 123.11 1pfl n VAL 72 Ca -0.13 -0.24 -0.26 0.00 -0.01 0.00 0.00 64.34 63.71 1pfl n VAL 72 Cb 0.48 -0.44 -0.08 0.00 -0.91 0.00 0.00 33.84 32.89 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 1.13 -0.28 0.00 2.52 -0.00 0.44 -4.84 119.36 118.33 1pfl n ILE 73 Ca 0.17 -4.07 0.00 0.00 -0.00 0.00 0.00 62.75 58.85 1pfl n ILE 73 Cb 0.21 -1.91 0.00 0.00 -0.00 0.00 0.00 39.64 37.94 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 1.77 0.00 -2.68 0.38 3.00 -1.26 -3.45 116.66 114.42 1pfl n ARG 74 Ca 0.25 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.67 1pfl n ARG 74 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.92 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 0.00 6.33 0.00 6.15 -1.08 -1.26 -2.76 116.67 124.05 1pfl s ASP 75 Ca 0.00 -0.26 0.04 0.00 -0.52 0.00 0.00 52.55 51.82 1pfl s ASP 75 Cb 0.00 -2.51 0.02 0.00 -1.46 0.00 0.00 42.92 38.97 1pfl s ASP 75 CO 0.00 -1.48 0.55 -0.24 0.52 0.00 0.00 175.17 174.52 1pfl n SER 76 N 8.28 1.15 -0.20 -0.34 2.88 0.18 -4.75 113.62 120.82 1pfl n SER 76 Ca 0.04 -1.08 0.19 0.00 -1.33 0.00 0.00 58.87 56.70 1pfl n SER 76 Cb 0.48 0.19 0.35 0.00 -0.75 0.00 0.00 64.21 64.48 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 -0.00 0.19 -4.62 2.46 7.94 -1.19 -0.52 117.00 121.26 1pfl n LEU 77 Ca 0.02 0.94 -0.40 0.00 -1.11 0.00 0.00 56.01 55.46 1pfl n LEU 77 Cb 0.10 -0.46 -0.08 0.00 0.53 0.00 0.00 43.42 43.52 1pfl n LEU 77 CO 0.04 -1.04 0.22 -0.76 -1.11 0.00 0.00 177.39 174.74 1pfl s LEU 78 N -8.47 4.06 -0.46 -1.96 1.43 -1.26 -4.22 118.68 107.81 1pfl s LEU 78 Ca -0.05 0.52 -0.10 0.00 -1.03 0.00 0.00 54.13 53.46 1pfl s LEU 78 Cb 0.19 -2.64 -0.11 0.00 0.03 0.00 0.00 46.19 43.66 1pfl s LEU 78 CO 0.45 -0.26 1.51 0.00 0.23 0.00 0.00 176.35 178.28 1pfl n GLN 79 N 5.40 0.05 -1.19 1.70 10.64 -1.24 -4.23 117.38 128.52 1pfl n GLN 79 Ca -0.05 -0.57 -0.21 0.00 -1.83 0.00 0.00 57.00 54.34 1pfl n GLN 79 Cb 0.50 -2.04 0.20 0.00 -0.86 0.00 0.00 30.24 28.03 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 10.09 3.83 0.00 2.61 2.03 -1.26 -4.72 116.55 129.14 1pfl n ASP 80 Ca 0.20 -3.57 0.00 0.00 0.52 0.00 0.00 54.79 51.94 1pfl n ASP 80 Cb 0.46 -0.82 0.00 0.00 -0.72 0.00 0.00 41.12 40.04 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 -1.04 1.19 2.11 0.27 0.00 -1.26 -4.93 105.19 101.54 1pfl n GLY 81 Ca 0.57 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.48 0.00 -0.67 1.61 -0.58 -1.26 -5.00 120.64 113.25 1pfl n GLU 82 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1pfl n GLU 82 Cb 0.11 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.98 1pfl n GLU 82 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 1pfl n PHE 83 N -3.01 0.00 -3.52 -0.32 -1.74 0.33 -4.85 117.46 104.35 1pfl n PHE 83 Ca 0.00 0.00 -0.37 0.00 -0.56 0.00 0.00 57.45 56.52 1pfl n PHE 83 Cb 0.00 -1.66 -0.07 0.00 1.52 0.00 0.00 39.48 39.28 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 -2.00 6.53 -0.11 5.98 1.04 -1.22 -1.75 113.70 122.16 1pfl s SER 84 Ca 0.00 0.63 0.01 0.00 0.48 0.00 0.00 55.95 57.07 1pfl s SER 84 Cb 0.00 -2.20 0.02 0.00 0.10 0.00 0.00 66.02 63.94 1pfl s SER 84 CO 0.00 0.14 -0.11 -0.32 0.98 0.00 0.00 173.24 173.93 1pfl s MET 85 N 0.14 1.83 -1.18 4.02 1.75 -0.55 -0.64 119.30 124.66 1pfl s MET 85 Ca 0.19 -0.39 -0.12 0.00 -1.25 0.00 0.00 55.69 54.12 1pfl s MET 85 Cb -0.14 -1.71 0.21 0.00 2.84 0.00 0.00 34.83 36.02 1pfl s MET 85 CO 0.06 -0.18 1.34 -0.51 -0.65 0.00 0.00 175.02 175.08 1pfl s ASP 86 N 1.37 7.16 -0.31 1.11 1.01 -1.11 -1.04 116.67 124.86 1pfl s ASP 86 Ca -0.00 -3.20 -0.15 0.00 0.71 0.00 0.00 52.55 49.90 1pfl s ASP 86 Cb -0.14 -2.34 -0.02 0.00 1.01 0.00 0.00 42.92 41.43 1pfl s ASP 86 CO -0.06 -0.60 0.39 -1.48 0.21 0.00 0.00 175.17 173.64 1pfl s LEU 87 N 0.65 4.24 -0.05 1.23 -0.00 -0.41 0.17 118.68 124.51 1pfl s LEU 87 Ca 0.39 0.03 0.05 0.00 -0.00 0.00 0.00 54.13 54.61 1pfl s LEU 87 Cb -0.05 -2.42 -0.02 0.00 -0.00 0.00 0.00 46.19 43.71 1pfl s LEU 87 CO -0.02 -0.29 -0.22 0.00 -0.00 0.00 0.00 176.35 175.82 1pfl s ARG 88 N 2.10 2.53 -0.51 1.48 1.70 -0.73 -1.87 118.95 123.64 1pfl s ARG 88 Ca 0.14 -0.84 -0.27 0.00 -0.47 0.00 0.00 55.73 54.29 1pfl s ARG 88 Cb -0.16 -2.23 -0.09 0.00 -0.57 0.00 0.00 34.95 31.90 1pfl s ARG 88 CO 0.11 0.46 2.42 0.25 -1.08 0.00 0.00 175.30 177.46 1pfl n THR 89 N 2.75 -0.02 -2.24 4.99 -2.24 0.19 -1.89 114.28 115.82 1pfl n THR 89 Ca -0.17 -0.66 -0.27 0.00 -2.27 0.00 0.00 64.05 60.68 1pfl n THR 89 Cb 0.52 -2.49 0.05 0.00 -2.10 0.00 0.00 70.33 66.31 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 8.08 2.53 0.41 -0.78 -0.14 -1.26 -1.37 119.74 127.21 1pfl s LYS 90 Ca 1.03 -0.08 0.04 0.00 -1.36 0.00 0.00 55.97 55.60 1pfl s LYS 90 Cb -0.34 -2.19 -0.02 0.00 -1.68 0.00 0.00 37.83 33.60 1pfl s LYS 90 CO 0.30 -1.02 0.16 0.45 -0.76 0.00 0.00 175.35 174.48 1pfl s SER 91 N -4.42 2.71 -0.27 2.83 0.15 -1.26 -4.79 113.70 108.65 1pfl s SER 91 Ca 0.58 -1.72 0.09 0.00 0.70 0.00 0.00 55.95 55.60 1pfl s SER 91 Cb -0.11 0.56 0.46 0.00 -1.71 0.00 0.00 66.02 65.22 1pfl s SER 91 CO 0.46 -0.98 1.19 0.35 1.20 0.00 0.00 173.24 175.46 1pfl n THR 92 N -0.90 2.34 0.00 6.45 -2.24 -1.26 -4.94 114.28 113.73 1pfl n THR 92 Ca -0.04 -3.90 0.00 0.00 -2.27 0.00 0.00 64.05 57.83 1pfl n THR 92 Cb 0.64 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1pfl n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pfl n GLY 93 N -0.75 1.93 0.00 3.38 0.00 -1.26 -4.57 105.19 103.92 1pfl n GLY 93 Ca 0.36 -0.57 0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.04 3.99 -0.02 0.00 -1.26 -4.80 105.19 102.06 1pfl n GLY 94 Ca 0.00 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.69 4.17 0.15 4.61 0.00 -1.26 -5.11 121.76 121.63 1pfl s ALA 95 Ca 0.17 -1.45 -0.06 0.00 0.00 0.00 0.00 51.96 50.62 1pfl s ALA 95 Cb 0.14 -1.86 -0.06 0.00 0.00 0.00 0.00 23.12 21.34 1pfl s ALA 95 CO 0.33 -0.45 0.41 -1.25 0.00 0.00 0.00 175.76 174.80 1pfl s PRO 96 N -4.51 3.66 0.20 0.00 0.04 -1.26 -4.62 135.00 128.51 1pfl s PRO 96 Ca 0.54 -0.01 0.11 0.00 0.04 0.00 0.00 61.00 61.68 1pfl s PRO 96 Cb -0.10 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 1pfl s PRO 96 CO 0.35 0.45 -0.23 0.95 0.04 0.00 0.00 177.00 178.57 1pfl s THR 97 N -1.66 2.31 0.01 1.26 -4.23 -1.26 -4.22 115.64 107.85 1pfl s THR 97 Ca 0.41 -2.08 -0.07 0.00 -1.18 0.00 0.00 61.69 58.78 1pfl s THR 97 Cb -0.12 -2.12 -0.00 0.00 1.34 0.00 0.00 72.50 71.60 1pfl s THR 97 CO 0.23 -0.18 0.13 -0.36 -0.54 0.00 0.00 174.62 173.90 1pfl s PHE 98 N -1.84 0.08 -0.02 3.99 0.08 -0.47 -4.50 117.98 115.30 1pfl s PHE 98 Ca 0.22 -0.23 0.08 0.00 0.12 0.00 0.00 56.93 57.11 1pfl s PHE 98 Cb -0.07 -0.07 -0.02 0.00 -0.57 0.00 0.00 43.02 42.29 1pfl s PHE 98 CO 0.10 -0.32 -0.26 -0.80 -0.10 0.00 0.00 175.22 173.85 1pfl s ASN 99 N -1.61 3.01 0.01 1.36 -0.87 -0.60 0.56 114.94 116.81 1pfl s ASN 99 Ca -0.12 -0.47 0.04 0.00 -1.57 0.00 0.00 52.86 50.74 1pfl s ASN 99 Cb -0.06 -0.33 -0.01 0.00 -0.02 0.00 0.00 41.25 40.83 1pfl s ASN 99 CO -0.00 0.31 -0.12 -0.69 -2.57 0.00 0.00 177.10 174.03 1pfl s VAL 100 N -0.61 0.95 0.00 1.60 1.01 -0.78 0.19 120.40 122.75 1pfl s VAL 100 Ca 0.10 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.45 1pfl s VAL 100 Cb -0.10 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 1pfl s VAL 100 CO -0.01 0.14 -0.13 -0.89 0.00 0.00 0.00 175.10 174.22 1pfl s THR 101 N -0.51 3.17 -0.19 3.92 2.01 -0.46 -1.29 115.64 122.30 1pfl s THR 101 Ca 0.03 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 1pfl s THR 101 Cb -0.06 -2.33 0.06 0.00 0.01 0.00 0.00 72.50 70.18 1pfl s THR 101 CO 0.00 0.43 0.00 -0.69 -0.69 0.00 0.00 174.62 173.68 1pfl s VAL 102 N -0.89 0.83 -0.16 3.82 1.01 -0.20 -0.56 120.40 124.24 1pfl s VAL 102 Ca 0.15 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 1pfl s VAL 102 Cb -0.11 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1pfl s VAL 102 CO 0.05 -0.11 0.07 0.42 0.00 0.00 0.00 175.10 175.52 1pfl s THR 103 N 1.73 4.86 -0.14 3.92 -4.23 0.01 -1.48 115.64 120.30 1pfl s THR 103 Ca -0.02 -0.02 -0.02 0.00 -1.18 0.00 0.00 61.69 60.45 1pfl s THR 103 Cb -0.17 -3.16 -0.02 0.00 1.34 0.00 0.00 72.50 70.49 1pfl s THR 103 CO -0.07 0.50 -0.06 -0.75 -0.54 0.00 0.00 174.62 173.70 1pfl s LYS 104 N -0.02 3.49 0.00 3.99 2.47 -0.72 -1.10 119.74 127.85 1pfl s LYS 104 Ca 0.06 -0.56 0.00 0.00 -1.56 0.00 0.00 55.97 53.91 1pfl s LYS 104 Cb -0.12 -2.81 0.00 0.00 -1.46 0.00 0.00 37.83 33.44 1pfl s LYS 104 CO 0.01 0.29 0.00 0.25 0.16 0.00 0.00 175.35 176.06 1pfl n THR 105 N 3.36 0.00 0.01 3.43 -2.24 -0.97 -4.74 114.28 113.14 1pfl n THR 105 Ca -0.18 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1pfl n THR 105 Cb 0.53 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.63 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 0.22 -1.04 3.42 2.03 -1.12 -4.63 116.55 115.43 1pfl n ASP 106 Ca 0.00 0.09 -0.01 0.00 0.52 0.00 0.00 54.79 55.39 1pfl n ASP 106 Cb 0.00 1.52 -0.02 0.00 -0.72 0.00 0.00 41.12 41.90 1pfl n ASP 106 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1pfl n LYS 107 N -2.41 0.00 -3.84 -0.67 5.02 -1.18 -5.11 118.16 109.97 1pfl n LYS 107 Ca -0.06 -1.23 -0.12 0.00 -2.02 0.00 0.00 58.31 54.89 1pfl n LYS 107 Cb 0.62 0.10 -0.09 0.00 -0.02 0.00 0.00 35.03 35.64 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 0.08 -0.65 -0.18 -4.23 -1.26 -4.55 115.64 104.84 1pfl s THR 108 Ca 0.12 -0.65 -0.00 0.00 -1.18 0.00 0.00 61.69 59.99 1pfl s THR 108 Cb 0.14 -0.53 0.16 0.00 1.34 0.00 0.00 72.50 73.61 1pfl s THR 108 CO -0.06 -0.36 0.45 -0.22 -0.54 0.00 0.00 174.62 173.89 1pfl s LEU 109 N -1.44 5.00 0.18 4.79 1.98 -0.70 -2.28 118.68 126.21 1pfl s LEU 109 Ca -0.14 -3.15 -0.22 0.00 -2.89 0.00 0.00 54.13 47.73 1pfl s LEU 109 Cb -0.06 -1.78 -0.08 0.00 0.66 0.00 0.00 46.19 44.92 1pfl s LEU 109 CO 0.02 -0.27 0.73 -0.69 -1.89 0.00 0.00 176.35 174.25 1pfl s VAL 110 N -0.48 4.49 0.09 1.68 1.01 -0.26 -1.05 120.40 125.87 1pfl s VAL 110 Ca 0.19 1.48 0.05 0.00 0.00 0.00 0.00 61.98 63.70 1pfl s VAL 110 Cb -0.18 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1pfl s VAL 110 CO -0.05 0.40 -0.13 -0.76 0.00 0.00 0.00 175.10 174.56 1pfl s LEU 111 N -1.47 2.35 -0.26 3.92 1.43 0.64 -0.81 118.68 124.47 1pfl s LEU 111 Ca 0.38 -0.72 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1pfl s LEU 111 Cb -0.20 -0.45 0.09 0.00 0.03 0.00 0.00 46.19 45.65 1pfl s LEU 111 CO 0.23 -0.15 0.10 -0.22 0.23 0.00 0.00 176.35 176.54 1pfl s LEU 112 N -2.12 1.05 0.26 1.79 2.96 0.27 -1.75 118.68 121.14 1pfl s LEU 112 Ca 0.03 -1.20 -0.10 0.00 -0.22 0.00 0.00 54.13 52.63 1pfl s LEU 112 Cb -0.07 -0.50 -0.07 0.00 0.50 0.00 0.00 46.19 46.04 1pfl s LEU 112 CO 0.02 -0.40 0.60 -0.32 -1.32 0.00 0.00 176.35 174.93 1pfl s MET 113 N 1.94 3.83 0.02 1.98 -2.45 -0.50 -1.36 119.30 122.77 1pfl s MET 113 Ca 0.06 0.35 -0.05 0.00 -1.25 0.00 0.00 55.69 54.80 1pfl s MET 113 Cb -0.16 -2.59 -0.01 0.00 1.25 0.00 0.00 34.83 33.32 1pfl s MET 113 CO -0.25 0.26 0.08 0.20 1.05 0.00 0.00 175.02 176.36 1pfl s GLY 114 N -2.44 0.16 0.26 2.11 0.00 0.13 -0.50 107.32 107.03 1pfl s GLY 114 Ca 0.49 -0.45 0.03 0.00 0.00 0.00 0.00 44.72 44.79 1pfl s GLY 114 CO 0.21 -0.58 0.03 0.54 0.00 0.00 0.00 173.10 173.30 1pfl s LYS 115 N -2.07 1.42 0.00 2.90 1.02 -1.11 -1.55 119.74 120.35 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 -0.04 -0.61 0.00 0.00 -0.52 0.00 0.00 37.83 36.65 1pfl s LYS 115 CO -0.02 -0.15 0.00 -1.91 -0.92 0.00 0.00 175.35 172.35 1pfl n GLU 116 N -0.49 0.00 -1.12 1.68 2.13 -1.26 -3.31 120.64 118.27 1pfl n GLU 116 Ca -0.03 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.74 1pfl n GLU 116 Cb 0.65 0.00 -0.02 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 0.65 3.33 8.31 0.00 -1.26 -4.89 105.19 111.33 1pfl n GLY 117 Ca 0.00 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.92 4.87 -0.03 1.61 0.11 -1.21 -4.87 120.40 118.97 1pfl s VAL 118 Ca 0.00 -1.25 -0.03 0.00 -2.93 0.00 0.00 61.98 57.77 1pfl s VAL 118 Cb 0.00 -3.97 -0.28 0.00 -1.53 0.00 0.00 36.38 30.61 1pfl s VAL 118 CO 0.00 -0.60 0.73 -0.74 -3.33 0.00 0.00 175.10 171.16 1pfl h HIS 119 N 8.65 0.46 0.00 1.54 2.76 -1.91 -3.44 115.15 123.20 1pfl h HIS 119 Ca -0.27 -0.34 0.00 0.00 -2.20 0.00 0.00 60.37 57.57 1pfl h HIS 119 Cb 1.10 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.04 1pfl h HIS 119 CO 0.64 1.46 0.00 0.41 -1.30 0.00 0.00 177.93 179.14 1pfl n GLY 120 N 1.74 2.23 0.07 5.26 0.00 -1.26 -4.92 105.19 108.31 1pfl n GLY 120 Ca -0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 1.33 -0.02 0.00 -1.97 -1.40 103.07 101.00 1pfl h GLY 121 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 1pfl h GLY 121 CO 0.00 0.00 -1.23 1.41 0.00 0.00 0.00 176.54 176.72 1pfl h LEU 122 N 0.00 0.78 -0.79 3.11 -0.00 -1.99 -2.19 115.31 114.24 1pfl h LEU 122 Ca -0.13 -0.73 -0.11 0.00 -0.00 0.00 0.00 57.88 56.91 1pfl h LEU 122 Cb 1.87 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 42.27 1pfl h LEU 122 CO 0.11 1.54 -0.24 0.40 -0.00 0.00 0.00 178.44 180.25 1pfl h ILE 123 N 0.24 1.27 0.00 1.22 2.04 -1.97 0.11 117.51 120.42 1pfl h ILE 123 Ca -0.17 -1.32 -0.03 0.00 1.00 0.00 0.00 64.86 64.33 1pfl h ILE 123 Cb 1.90 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 39.27 1pfl h ILE 123 CO 0.23 0.43 -0.14 -1.13 0.00 0.00 0.00 178.15 177.54 1pfl h ASN 124 N 0.56 0.00 0.67 1.72 -0.73 -1.16 0.26 115.58 116.90 1pfl h ASN 124 Ca 0.08 0.00 -0.26 0.00 1.87 0.00 0.00 56.30 57.98 1pfl h ASN 124 Cb 0.72 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.27 1pfl h ASN 124 CO 0.06 0.14 -1.42 0.11 -0.37 0.00 0.00 177.43 175.94 1pfl h LYS 125 N 0.00 0.04 0.00 6.67 1.79 -0.52 -2.74 116.57 121.82 1pfl h LYS 125 Ca -0.00 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1pfl h LYS 125 Cb 0.27 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1pfl h LYS 125 CO 0.02 0.79 -0.36 0.87 -1.08 0.00 0.00 179.45 179.68 1pfl h LYS 126 N 0.01 0.00 0.08 3.15 6.56 -0.40 -2.41 116.57 123.56 1pfl h LYS 126 Ca -0.18 0.00 -0.31 0.00 -1.06 0.00 0.00 60.65 59.10 1pfl h LYS 126 Cb 1.92 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 33.56 1pfl h LYS 126 CO 0.11 0.00 -1.67 0.00 -2.06 0.00 0.00 179.45 175.83 1pfl h TYR 128 N 0.04 0.02 0.00 0.00 3.20 -1.51 -1.19 116.97 117.53 1pfl h TYR 128 Ca -0.29 -0.01 -0.21 0.00 3.14 0.00 0.00 58.73 61.37 1pfl h TYR 128 Cb 2.01 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 40.24 1pfl h TYR 128 CO 0.04 0.40 -1.19 0.93 -1.64 0.00 0.00 178.16 176.71 1pfl h GLU 129 N 0.02 0.00 -0.44 1.82 5.08 -1.45 -0.52 114.58 119.10 1pfl h GLU 129 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1pfl h GLU 129 Cb 0.68 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1pfl h GLU 129 CO 0.05 0.67 0.20 1.98 -1.00 0.00 0.00 179.01 180.91 1pfl h MET 130 N 0.00 0.64 0.00 2.33 4.05 -0.57 -1.08 114.93 120.29 1pfl h MET 130 Ca -0.11 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.21 1pfl h MET 130 Cb 1.75 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 32.44 1pfl h MET 130 CO 0.09 0.56 0.00 0.00 0.23 0.00 0.00 176.91 177.80 1pfl h ALA 131 N 1.04 1.00 -0.24 0.39 0.00 -1.29 -3.03 119.26 117.13 1pfl h ALA 131 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1pfl h ALA 131 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1pfl h ALA 131 CO -0.02 0.00 0.16 0.77 0.00 0.00 0.00 179.25 180.16 1pfl h SER 132 N 0.00 0.27 0.28 0.00 0.02 0.25 0.78 113.55 115.14 1pfl h SER 132 Ca 0.00 -0.01 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 1pfl h SER 132 Cb 0.87 -0.07 0.04 0.00 0.14 0.00 0.00 62.40 63.38 1pfl h SER 132 CO 0.00 0.19 -1.49 -0.74 -1.14 0.00 0.00 176.83 173.65 1pfl h HIS 133 N 0.32 0.96 0.00 3.45 2.76 -1.38 -1.69 115.15 119.56 1pfl h HIS 133 Ca 0.09 -0.70 0.00 0.00 -2.20 0.00 0.00 60.37 57.56 1pfl h HIS 133 Cb -0.03 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 28.89 1pfl h HIS 133 CO -0.00 1.56 0.00 1.28 -1.30 0.00 0.00 177.93 179.47 1pfl n LEU 134 N -3.70 0.00 -0.04 0.26 4.32 -0.32 0.94 117.00 118.46 1pfl n LEU 134 Ca -0.17 0.36 -0.20 0.00 -0.02 0.00 0.00 56.01 55.98 1pfl n LEU 134 Cb 1.10 -0.36 -0.13 0.00 -1.62 0.00 0.00 43.42 42.41 1pfl n LEU 134 CO 0.60 -0.19 -0.97 0.54 -1.22 0.00 0.00 177.39 176.16 1pfl n ARG 135 N -1.36 0.72 0.00 3.23 5.12 0.26 -3.58 116.66 121.05 1pfl n ARG 135 Ca 0.06 0.23 0.13 0.00 -1.93 0.00 0.00 57.85 56.33 1pfl n ARG 135 Cb 0.13 -1.65 0.62 0.00 -1.16 0.00 0.00 32.46 30.40 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 -3.39 0.22 0.06 5.56 1.74 -0.61 -2.44 116.66 117.80 1pfl n ARG 136 Ca -0.36 0.04 0.13 0.00 -0.77 0.00 0.00 57.85 56.90 1pfl n ARG 136 Cb 1.03 -1.50 0.50 0.00 -1.02 0.00 0.00 32.46 31.47 1pfl n ARG 136 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1pfl n SER 137 N -1.37 0.45 -1.71 0.55 3.41 0.27 -4.91 113.62 110.30 1pfl n SER 137 Ca 0.10 0.54 -0.17 0.00 -0.26 0.00 0.00 58.87 59.08 1pfl n SER 137 Cb 0.25 -0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 63.51 1pfl n SER 137 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pfl n GLN 138 N -1.92 -1.28 0.00 4.33 6.02 -1.02 -5.06 117.38 118.45 1pfl n GLN 138 Ca 0.06 0.90 0.12 0.00 -0.01 0.00 0.00 57.00 58.07 1pfl n GLN 138 Cb 0.39 -5.26 0.14 0.00 1.02 0.00 0.00 30.24 26.53 1pfl n GLN 138 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71