#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 2.87 0.22 0.00 0.00 -1.26 -4.88 105.19 102.14 1pfl n GLY 2 Ca 0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.80 1.61 -0.00 -1.99 -2.33 115.95 112.53 1pfl h TRP 3 Ca 0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 58.89 58.92 1pfl h TRP 3 Cb 0.00 0.05 -0.04 0.00 -0.00 0.00 0.00 29.16 29.17 1pfl h TRP 3 CO 0.00 -0.08 0.47 -0.91 -0.00 0.00 0.00 178.44 177.92 1pfl h ASN 4 N 0.19 0.97 0.24 -3.49 2.35 -1.95 -0.01 115.58 113.87 1pfl h ASN 4 Ca 0.30 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 1pfl h ASN 4 Cb 0.45 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 1pfl h ASN 4 CO -0.43 0.76 -0.08 0.00 -1.65 0.00 0.00 177.43 176.03 1pfl h ALA 5 N 1.25 1.36 0.06 -0.83 0.00 -1.84 0.42 119.26 119.68 1pfl h ALA 5 Ca 0.28 -0.07 -0.24 0.00 0.00 0.00 0.00 54.91 54.89 1pfl h ALA 5 Cb -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1pfl h ALA 5 CO -0.05 0.10 -1.10 1.88 0.00 0.00 0.00 179.25 180.08 1pfl h TYR 6 N 0.00 0.23 0.00 0.00 0.05 -0.83 -2.00 116.97 114.43 1pfl h TYR 6 Ca -0.00 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.61 1pfl h TYR 6 Cb 0.22 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.95 1pfl h TYR 6 CO 0.00 1.12 0.00 0.82 -1.05 0.00 0.00 178.16 179.05 1pfl h ILE 7 N 0.04 0.00 -0.15 -2.88 1.08 0.12 -1.64 117.51 114.08 1pfl h ILE 7 Ca -0.07 -0.46 -0.22 0.00 -0.39 0.00 0.00 64.86 63.72 1pfl h ILE 7 Cb 1.84 1.38 0.01 0.00 -3.07 0.00 0.00 36.82 36.98 1pfl h ILE 7 CO 0.16 0.00 -0.78 0.44 -0.69 0.00 0.00 178.15 177.28 1pfl h ASP 8 N 0.00 0.93 0.84 1.72 3.32 0.41 -2.19 116.42 121.44 1pfl h ASP 8 Ca 0.00 -0.61 -0.04 0.00 0.02 0.00 0.00 57.03 56.40 1pfl h ASP 8 Cb 0.52 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 39.81 1pfl h ASP 8 CO 0.00 1.41 -0.40 -1.13 -1.72 0.00 0.00 179.24 177.39 1pfl h ASN 9 N 0.53 -0.95 -0.69 6.45 -1.24 -1.16 0.31 115.58 118.82 1pfl h ASN 9 Ca -0.05 0.03 0.26 0.00 0.71 0.00 0.00 56.30 57.25 1pfl h ASN 9 Cb 1.41 0.25 -0.10 0.00 0.73 0.00 0.00 38.32 40.61 1pfl h ASN 9 CO 0.16 -0.59 0.41 0.18 -1.29 0.00 0.00 177.43 176.30 1pfl n LEU 10 N -5.52 0.17 -0.10 0.34 4.77 -0.65 0.22 117.00 116.23 1pfl n LEU 10 Ca -0.14 0.91 -0.13 0.00 -0.03 0.00 0.00 56.01 56.62 1pfl n LEU 10 Cb 0.44 -0.44 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 1pfl n LEU 10 CO 0.34 -1.01 -1.16 1.15 -1.33 0.00 0.00 177.39 175.38 1pfl n MET 11 N -4.12 0.80 -0.02 3.23 0.00 -0.83 -4.05 117.12 112.13 1pfl n MET 11 Ca 0.23 0.07 0.11 0.00 0.00 0.00 0.00 57.70 58.12 1pfl n MET 11 Cb 0.84 -1.44 0.56 0.00 0.00 0.00 0.00 33.22 33.18 1pfl n MET 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1pfl n ALA 12 N -2.95 2.59 0.00 3.17 0.00 0.31 -4.57 120.51 119.06 1pfl n ALA 12 Ca -0.35 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1pfl n ALA 12 Cb 0.98 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.35 0.00 -0.70 0.00 5.68 0.58 -4.72 116.55 117.04 1pfl n ASP 13 Ca 0.17 0.02 -0.09 0.00 -0.50 0.00 0.00 54.79 54.39 1pfl n ASP 13 Cb 0.19 -0.02 -0.04 0.00 -1.14 0.00 0.00 41.12 40.12 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 -0.96 0.95 0.00 6.12 0.00 -1.26 -4.45 105.19 105.59 1pfl n GLY 14 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.36 0.00 -2.05 2.61 -1.04 -1.26 -5.04 114.28 105.13 1pfl n THR 15 Ca -0.09 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.74 1pfl n THR 15 Cb 0.49 0.00 0.11 0.00 -1.82 0.00 0.00 70.33 69.11 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 -2.61 0.00 -4.65 0.00 0.00 0.38 -4.09 117.38 106.40 1pfl n GLN 17 Ca 0.11 0.00 -0.29 0.00 -0.00 0.00 0.00 57.00 56.82 1pfl n GLN 17 Cb 0.40 -0.08 -0.10 0.00 0.00 0.00 0.00 30.24 30.46 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 -2.81 3.86 -0.29 1.69 2.15 -1.11 -4.93 116.67 115.23 1pfl s ASP 18 Ca 0.00 -1.46 -0.16 0.00 0.43 0.00 0.00 52.55 51.36 1pfl s ASP 18 Cb 0.00 -0.10 0.16 0.00 -0.30 0.00 0.00 42.92 42.68 1pfl s ASP 18 CO 0.00 -0.58 1.03 0.00 -0.17 0.00 0.00 175.17 175.44 1pfl s ALA 19 N -2.80 -2.46 -0.28 3.66 0.00 -1.26 -1.09 121.76 117.54 1pfl s ALA 19 Ca 0.26 2.13 -0.09 0.00 0.00 0.00 0.00 51.96 54.27 1pfl s ALA 19 Cb 0.07 -1.84 0.13 0.00 0.00 0.00 0.00 23.12 21.48 1pfl s ALA 19 CO 0.13 -0.50 0.60 0.00 0.00 0.00 0.00 175.76 175.99 1pfl s ALA 20 N 1.57 -1.88 0.23 0.00 0.00 -0.73 -1.97 121.76 118.99 1pfl s ALA 20 Ca -0.07 2.13 -0.27 0.00 0.00 0.00 0.00 51.96 53.75 1pfl s ALA 20 Cb -0.04 -1.72 -0.09 0.00 0.00 0.00 0.00 23.12 21.28 1pfl s ALA 20 CO -0.15 -0.93 0.87 0.42 0.00 0.00 0.00 175.76 175.97 1pfl s ILE 21 N 2.84 4.23 -0.11 0.00 1.01 0.59 -0.40 121.20 129.36 1pfl s ILE 21 Ca -0.03 1.86 -0.04 0.00 0.00 0.00 0.00 60.65 62.44 1pfl s ILE 21 Cb -0.12 -4.18 0.05 0.00 0.01 0.00 0.00 42.46 38.22 1pfl s ILE 21 CO -0.18 0.43 0.17 -0.69 0.00 0.00 0.00 174.94 174.67 1pfl s VAL 22 N -1.26 -0.27 -1.07 2.92 1.01 0.50 -2.63 120.40 119.59 1pfl s VAL 22 Ca 0.41 0.26 -0.23 0.00 0.00 0.00 0.00 61.98 62.42 1pfl s VAL 22 Cb -0.23 -0.37 -0.06 0.00 0.00 0.00 0.00 36.38 35.72 1pfl s VAL 22 CO 0.28 0.08 1.91 -0.83 0.00 0.00 0.00 175.10 176.54 1pfl s GLY 23 N 2.30 0.30 0.00 4.51 0.00 0.12 -1.40 107.32 113.14 1pfl s GLY 23 Ca 0.03 -1.94 0.00 0.00 0.00 0.00 0.00 44.72 42.81 1pfl s GLY 23 CO -0.07 3.45 0.84 1.58 0.00 0.00 0.00 173.10 178.90 1pfl n TYR 24 N 13.68 0.00 0.00 1.90 4.11 -1.26 -1.01 117.16 134.57 1pfl n TYR 24 Ca 0.43 -0.35 0.00 0.00 -0.00 0.00 0.00 57.90 57.98 1pfl n TYR 24 Cb 0.47 -0.20 0.00 0.00 -0.00 0.00 0.00 39.34 39.60 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 0.36 1.09 -0.20 -3.48 4.01 -1.26 -4.69 118.16 113.99 1pfl n LYS 25 Ca 0.00 0.00 -0.07 0.00 -0.51 0.00 0.00 58.31 57.73 1pfl n LYS 25 Cb 0.42 0.00 -0.02 0.00 -0.51 0.00 0.00 35.03 34.93 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 -1.33 -3.66 4.39 2.03 -2.00 -3.28 116.42 112.57 1pfl h ASP 26 Ca 0.00 0.24 -0.68 0.00 -0.73 0.00 0.00 57.03 55.86 1pfl h ASP 26 Cb 0.00 0.63 -0.22 0.00 -0.83 0.00 0.00 39.33 38.91 1pfl h ASP 26 CO 0.00 -0.32 -0.53 -0.94 -1.03 0.00 0.00 179.24 176.42 1pfl s SER 27 N -5.16 5.73 0.58 4.15 1.04 -1.26 -5.02 113.70 113.75 1pfl s SER 27 Ca -0.14 -0.56 -0.14 0.00 0.48 0.00 0.00 55.95 55.59 1pfl s SER 27 Cb 0.14 -2.05 -0.05 0.00 0.10 0.00 0.00 66.02 64.16 1pfl s SER 27 CO 0.68 -0.23 1.01 -2.16 0.98 0.00 0.00 173.24 173.52 1pfl s PRO 28 N 1.64 3.68 0.15 4.02 0.04 -1.24 -4.75 135.00 138.53 1pfl s PRO 28 Ca 0.05 0.90 -0.25 0.00 0.04 0.00 0.00 61.00 61.74 1pfl s PRO 28 Cb -0.17 -2.09 0.06 0.00 0.04 0.00 0.00 34.50 32.34 1pfl s PRO 28 CO 0.08 -0.50 0.92 -1.54 0.04 0.00 0.00 177.00 176.00 1pfl s SER 29 N -3.51 -0.21 -0.52 6.66 1.04 -0.18 -4.79 113.70 112.19 1pfl s SER 29 Ca 0.58 -0.38 -0.18 0.00 0.48 0.00 0.00 55.95 56.45 1pfl s SER 29 Cb -0.11 0.50 0.07 0.00 0.10 0.00 0.00 66.02 66.58 1pfl s SER 29 CO 0.42 -0.92 0.60 -0.69 0.98 0.00 0.00 173.24 173.64 1pfl s VAL 30 N -3.34 4.93 0.32 5.02 1.01 -1.26 0.12 120.40 127.21 1pfl s VAL 30 Ca 0.11 -0.75 0.11 0.00 0.00 0.00 0.00 61.98 61.45 1pfl s VAL 30 Cb -0.02 -4.32 0.04 0.00 0.00 0.00 0.00 36.38 32.08 1pfl s VAL 30 CO 0.01 -0.85 1.73 -0.50 0.00 0.00 0.00 175.10 175.49 1pfl h TRP 31 N 9.00 0.04 -1.67 5.22 4.06 -1.84 -3.45 115.95 127.31 1pfl h TRP 31 Ca -0.28 -0.01 0.04 0.00 2.06 0.00 0.00 58.89 60.70 1pfl h TRP 31 Cb 1.10 -0.01 -0.24 0.00 -1.00 0.00 0.00 29.16 29.00 1pfl h TRP 31 CO 0.75 0.50 0.42 0.00 -3.56 0.00 0.00 178.44 176.55 1pfl s ALA 32 N -3.96 -1.92 -0.28 1.49 0.00 -1.08 -5.00 121.76 111.01 1pfl s ALA 32 Ca -0.02 1.77 -0.26 0.00 0.00 0.00 0.00 51.96 53.45 1pfl s ALA 32 Cb 0.14 -1.10 0.16 0.00 0.00 0.00 0.00 23.12 22.32 1pfl s ALA 32 CO 0.75 -0.28 1.25 0.00 0.00 0.00 0.00 175.76 177.48 1pfl s ALA 33 N -0.21 -2.10 -0.26 0.00 0.00 -1.26 -0.30 121.76 117.63 1pfl s ALA 33 Ca 0.00 1.76 -0.28 0.00 0.00 0.00 0.00 51.96 53.44 1pfl s ALA 33 Cb -0.03 -1.52 -0.06 0.00 0.00 0.00 0.00 23.12 21.51 1pfl s ALA 33 CO -0.02 -0.18 2.25 0.28 0.00 0.00 0.00 175.76 178.08 1pfl n VAL 34 N 1.57 0.29 -2.53 0.00 0.31 -0.83 -4.85 118.33 112.28 1pfl n VAL 34 Ca -0.10 -0.48 -0.37 0.00 -0.01 0.00 0.00 64.34 63.38 1pfl n VAL 34 Cb 0.57 -2.52 -0.04 0.00 -0.91 0.00 0.00 33.84 30.94 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 6.56 4.19 0.00 5.55 0.04 -1.26 -3.60 135.00 146.48 1pfl s PRO 35 Ca 1.01 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.59 1pfl s PRO 35 Cb -0.36 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.60 1pfl s PRO 35 CO 0.35 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.68 1pfl n GLY 36 N 0.40 0.79 0.00 0.56 0.00 -1.26 -4.98 105.19 100.70 1pfl n GLY 36 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 4.01 -1.24 -5.08 118.16 115.46 1pfl n LYS 37 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1pfl n LYS 37 Cb 0.00 -0.08 0.00 0.00 -0.51 0.00 0.00 35.03 34.44 1pfl n LYS 37 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1pfl n THR 38 N -0.43 0.00 -0.26 -0.18 -1.04 -1.26 -5.00 114.28 106.11 1pfl n THR 38 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 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 1.18 -0.02 -1.42 0.04 -1.85 -2.42 116.94 112.46 1pfl h PHE 39 Ca 0.00 -0.12 0.01 0.00 2.80 0.00 0.00 57.97 60.65 1pfl h PHE 39 Cb 0.00 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 37.81 1pfl h PHE 39 CO 0.00 0.94 0.08 -0.24 -0.60 0.00 0.00 178.31 178.49 1pfl h VAL 40 N 1.09 0.10 -0.64 -0.55 3.04 -1.89 0.33 116.25 117.73 1pfl h VAL 40 Ca 0.23 0.00 -0.32 0.00 -1.01 0.00 0.00 66.70 65.60 1pfl h VAL 40 Cb 0.32 0.92 -0.19 0.00 -2.01 0.00 0.00 31.29 30.33 1pfl h VAL 40 CO -0.00 0.00 0.41 0.59 -1.01 0.00 0.00 177.57 177.56 1pfl n ASN 41 N -3.19 3.52 -4.79 3.17 3.02 -0.91 -4.72 115.26 111.36 1pfl n ASN 41 Ca -0.02 -3.04 -0.32 0.00 -0.03 0.00 0.00 54.58 51.17 1pfl n ASN 41 Cb 0.16 -0.72 0.04 0.00 -0.61 0.00 0.00 39.78 38.65 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 -2.17 3.62 0.32 2.41 1.01 0.12 -4.63 121.20 121.88 1pfl s ILE 42 Ca 0.37 0.69 0.01 0.00 0.00 0.00 0.00 60.65 61.72 1pfl s ILE 42 Cb 0.31 -3.25 -0.00 0.00 0.01 0.00 0.00 42.46 39.54 1pfl s ILE 42 CO 0.07 -0.52 0.40 0.35 0.00 0.00 0.00 174.94 175.24 1pfl n THR 43 N -2.50 0.00 1.31 2.92 -2.24 -1.26 -4.80 114.28 107.71 1pfl n THR 43 Ca 0.09 -1.81 0.10 0.00 -2.27 0.00 0.00 64.05 60.17 1pfl n THR 43 Cb 0.53 1.04 0.62 0.00 -2.10 0.00 0.00 70.33 70.42 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 -0.55 0.65 -0.02 -0.78 -0.04 -1.26 -1.72 135.00 131.28 1pfl n PRO 44 Ca 0.02 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.47 1pfl n PRO 44 Cb 0.55 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 3.30 0.00 -0.15 0.55 0.00 -1.96 0.22 119.26 121.22 1pfl h ALA 45 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1pfl h ALA 45 Cb 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1pfl h ALA 45 CO 0.00 0.09 0.10 1.05 0.00 0.00 0.00 179.25 180.50 1pfl h GLU 46 N -0.39 0.09 0.00 0.00 9.09 -1.75 -0.02 114.58 121.60 1pfl h GLU 46 Ca 0.00 -0.01 -0.06 0.00 0.05 0.00 0.00 59.36 59.35 1pfl h GLU 46 Cb 0.09 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.17 1pfl h GLU 46 CO 0.00 0.06 -0.84 0.28 0.05 0.00 0.00 179.01 178.56 1pfl h VAL 47 N 0.09 0.25 0.00 -1.06 2.07 -1.48 -2.86 116.25 113.26 1pfl h VAL 47 Ca 0.06 -1.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.14 1pfl h VAL 47 Cb 0.14 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1pfl h VAL 47 CO -0.01 0.14 -0.04 1.23 0.02 0.00 0.00 177.57 178.91 1pfl h GLY 48 N 3.85 0.00 0.35 2.17 0.00 0.14 -0.73 103.07 108.86 1pfl h GLY 48 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.92 1pfl h GLY 48 CO 0.02 0.00 -2.20 1.55 0.00 0.00 0.00 176.54 175.91 1pfl n VAL 49 N -4.44 1.64 0.32 4.60 3.14 -1.13 0.18 118.33 122.64 1pfl n VAL 49 Ca -0.03 -0.64 0.21 0.00 -2.96 0.00 0.00 64.34 60.92 1pfl n VAL 49 Cb 0.13 -1.51 1.06 0.00 -1.06 0.00 0.00 33.84 32.46 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 0.04 0.00 -0.01 6.55 3.38 -1.30 -3.18 115.31 120.78 1pfl h LEU 50 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1pfl h LEU 50 Cb 1.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.74 1pfl h LEU 50 CO 0.01 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.88 1pfl n VAL 51 N -3.12 0.00 -1.54 1.22 0.24 -0.30 -5.06 118.33 109.77 1pfl n VAL 51 Ca -0.02 -0.14 -0.56 0.00 -2.04 0.00 0.00 64.34 61.58 1pfl n VAL 51 Cb 0.14 1.04 -0.07 0.00 -1.47 0.00 0.00 33.84 33.47 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 0.27 0.05 0.15 7.63 0.00 0.13 -4.79 105.19 108.63 1pfl n GLY 52 Ca 0.00 0.74 0.11 0.00 0.00 0.00 0.00 46.02 46.87 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 2.00 0.14 -1.64 1.61 -0.00 -1.26 -4.75 118.16 114.26 1pfl n LYS 53 Ca 0.20 0.59 -0.46 0.00 -0.00 0.00 0.00 58.31 58.64 1pfl n LYS 53 Cb 0.13 -1.92 -0.03 0.00 -0.00 0.00 0.00 35.03 33.21 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 -2.21 2.20 -1.87 -5.58 -0.08 -1.26 -4.89 116.55 102.86 1pfl n ASP 54 Ca -0.01 1.15 -0.22 0.00 -1.51 0.00 0.00 54.79 54.20 1pfl n ASP 54 Cb 0.07 -1.35 0.09 0.00 2.34 0.00 0.00 41.12 42.27 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 1.82 2.80 0.00 -0.67 3.00 -1.26 -4.71 116.66 117.63 1pfl n ARG 55 Ca 0.12 -3.61 0.00 0.00 -0.01 0.00 0.00 57.85 54.36 1pfl n ARG 55 Cb 0.29 -2.15 0.00 0.00 0.00 0.00 0.00 32.46 30.61 1pfl n ARG 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1pfl n SER 56 N -0.90 0.00 0.00 0.55 2.88 -1.26 -5.05 113.62 109.83 1pfl n SER 56 Ca 0.47 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 1pfl n SER 56 Cb 0.92 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.38 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 -0.67 0.00 0.20 -3.46 3.41 -1.26 -3.57 113.62 108.27 1pfl n SER 57 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.66 1pfl n SER 57 Cb 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.02 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 0.06 7.33 -1.74 -1.26 -1.93 117.46 119.92 1pfl n PHE 58 Ca 0.00 0.00 0.01 0.00 -0.56 0.00 0.00 57.45 56.90 1pfl n PHE 58 Cb 0.00 -0.04 0.03 0.00 1.52 0.00 0.00 39.48 40.99 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 -2.40 0.00 0.00 2.97 4.01 -1.23 -1.25 117.16 119.26 1pfl n TYR 59 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1pfl n TYR 59 Cb 0.97 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 39.71 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 -1.29 0.00 0.06 -0.72 0.24 -0.81 -4.56 118.33 111.25 1pfl n VAL 60 Ca 0.01 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.08 1pfl n VAL 60 Cb 0.01 -0.81 -0.15 0.00 -1.47 0.00 0.00 33.84 31.42 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 0.58 -3.35 -1.34 7.08 -1.66 -3.49 115.58 113.40 1pfl h ASN 61 Ca 0.00 -0.93 0.00 0.00 -3.08 0.00 0.00 56.30 52.29 1pfl h ASN 61 Cb 0.96 -0.19 0.00 0.00 -2.08 0.00 0.00 38.32 37.01 1pfl h ASN 61 CO 0.00 1.79 0.00 0.61 -2.08 0.00 0.00 177.43 177.75 1pfl n GLY 62 N 1.87 3.79 0.00 9.14 0.00 -0.38 -4.84 105.19 114.76 1pfl n GLY 62 Ca -0.26 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 -3.62 0.99 4.77 -0.49 -4.73 117.00 113.93 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 -0.24 0.35 0.42 -1.33 0.00 0.00 177.39 176.59 1pfl s THR 64 N -0.27 -0.61 -0.26 -5.08 -4.23 -1.26 -2.34 115.64 101.60 1pfl s THR 64 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.50 1pfl s THR 64 Cb 0.00 -1.00 0.08 0.00 1.34 0.00 0.00 72.50 72.92 1pfl s THR 64 CO 0.00 0.00 0.06 -1.48 -0.54 0.00 0.00 174.62 172.66 1pfl s LEU 65 N 2.41 1.95 -0.28 4.79 2.34 -0.85 -4.11 118.68 124.94 1pfl s LEU 65 Ca -0.07 -1.33 0.00 0.00 0.06 0.00 0.00 54.13 52.79 1pfl s LEU 65 Cb -0.09 -0.82 0.00 0.00 -0.56 0.00 0.00 46.19 44.72 1pfl s LEU 65 CO -0.19 -0.36 0.00 0.61 -1.06 0.00 0.00 176.35 175.35 1pfl n GLY 66 N 4.89 0.44 1.38 -3.48 0.00 -1.26 -2.70 105.19 104.47 1pfl n GLY 66 Ca -0.05 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1pfl n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pfl n GLY 67 N -1.88 0.66 3.35 -0.02 0.00 -1.26 -4.81 105.19 101.22 1pfl n GLY 67 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.32 2.82 -0.48 1.61 2.00 -1.10 -5.04 119.66 119.15 1pfl s GLN 68 Ca 0.00 -1.34 -0.28 0.00 -2.00 0.00 0.00 55.36 51.74 1pfl s GLN 68 Cb 0.00 -3.94 -0.01 0.00 0.80 0.00 0.00 33.01 29.87 1pfl s GLN 68 CO 0.00 -0.94 1.65 0.21 -0.50 0.00 0.00 175.29 175.71 1pfl s LYS 69 N 1.55 3.16 0.03 1.67 2.20 -1.26 -2.01 119.74 125.09 1pfl s LYS 69 Ca 0.03 0.86 0.01 0.00 -0.36 0.00 0.00 55.97 56.51 1pfl s LYS 69 Cb -0.23 -4.21 0.01 0.00 -1.51 0.00 0.00 37.83 31.89 1pfl s LYS 69 CO 0.05 -2.08 0.04 0.00 -0.36 0.00 0.00 175.35 173.00 1pfl s SER 71 N -1.21 1.65 -0.17 0.00 1.04 0.99 -1.39 113.70 114.62 1pfl s SER 71 Ca 0.03 -0.22 -0.35 0.00 0.48 0.00 0.00 55.95 55.89 1pfl s SER 71 Cb -0.00 -0.09 -0.12 0.00 0.10 0.00 0.00 66.02 65.91 1pfl s SER 71 CO 0.02 -0.30 1.93 0.52 0.98 0.00 0.00 173.24 176.39 1pfl n VAL 72 N 5.30 0.47 -3.48 5.02 0.31 -1.26 -1.78 118.33 122.91 1pfl n VAL 72 Ca -0.05 -0.14 -0.27 0.00 -0.01 0.00 0.00 64.34 63.86 1pfl n VAL 72 Cb 0.49 -1.79 -0.08 0.00 -0.91 0.00 0.00 33.84 31.55 1pfl n VAL 72 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1pfl n ILE 73 N 5.53 2.34 -0.13 2.52 5.41 0.55 -4.83 119.36 130.74 1pfl n ILE 73 Ca 0.26 -5.19 0.00 0.00 1.00 0.00 0.00 62.75 58.82 1pfl n ILE 73 Cb 0.27 -2.11 0.00 0.00 -0.71 0.00 0.00 39.64 37.09 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 1.00 0.00 -3.52 0.38 3.00 -1.26 -3.53 116.66 112.74 1pfl n ARG 74 Ca 0.29 0.07 -0.42 0.00 -0.00 0.00 0.00 57.85 57.78 1pfl n ARG 74 Cb 0.40 -0.07 -0.10 0.00 0.00 0.00 0.00 32.46 32.69 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 5.90 0.00 6.15 -1.08 -1.26 -1.49 116.67 124.89 1pfl s ASP 75 Ca 0.00 -1.10 0.00 0.00 -0.52 0.00 0.00 52.55 50.93 1pfl s ASP 75 Cb 0.00 -2.09 0.00 0.00 -1.46 0.00 0.00 42.92 39.37 1pfl s ASP 75 CO 0.00 -0.47 0.51 -0.24 0.52 0.00 0.00 175.17 175.49 1pfl n SER 76 N 5.07 1.01 -0.54 -0.34 2.88 -0.07 -4.77 113.62 116.86 1pfl n SER 76 Ca -0.11 -1.09 0.45 0.00 -1.33 0.00 0.00 58.87 56.78 1pfl n SER 76 Cb 0.45 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 64.64 1pfl n SER 76 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1pfl h LEU 77 N 0.00 0.00 -9.19 2.46 5.85 -1.71 0.42 115.31 113.15 1pfl h LEU 77 Ca 0.00 0.00 -0.60 0.00 0.84 0.00 0.00 57.88 58.12 1pfl h LEU 77 Cb 0.09 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.00 1pfl h LEU 77 CO 0.00 0.00 -0.37 -0.76 -0.34 0.00 0.00 178.44 176.97 1pfl s LEU 78 N -7.56 4.18 -0.30 2.25 1.43 -1.26 -3.55 118.68 113.87 1pfl s LEU 78 Ca -0.04 0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 53.30 1pfl s LEU 78 Cb 0.23 -2.30 -0.11 0.00 0.03 0.00 0.00 46.19 44.05 1pfl s LEU 78 CO 0.78 0.05 1.28 0.00 0.23 0.00 0.00 176.35 178.69 1pfl n GLN 79 N 4.03 0.02 -1.13 1.70 10.64 -1.25 -4.03 117.38 127.35 1pfl n GLN 79 Ca -0.12 -0.58 -0.17 0.00 -1.83 0.00 0.00 57.00 54.30 1pfl n GLN 79 Cb 0.52 -1.97 0.22 0.00 -0.86 0.00 0.00 30.24 28.14 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 9.06 3.95 0.00 2.61 -0.08 -1.26 -4.74 116.55 126.09 1pfl n ASP 80 Ca 0.16 -3.51 0.00 0.00 -1.51 0.00 0.00 54.79 49.93 1pfl n ASP 80 Cb 0.44 -0.80 0.00 0.00 2.34 0.00 0.00 41.12 43.10 1pfl n ASP 80 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pfl n GLY 81 N -0.87 0.95 2.07 0.27 0.00 -1.26 -4.92 105.19 101.43 1pfl n GLY 81 Ca 0.52 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.18 0.00 -4.17 1.61 4.71 -1.26 -5.04 120.64 115.31 1pfl n GLU 82 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 56.84 1pfl n GLU 82 Cb 0.27 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.65 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 -2.88 -1.49 -3.76 -0.32 -1.74 0.14 -4.87 117.46 102.54 1pfl n PHE 83 Ca 0.00 0.71 -0.13 0.00 -0.56 0.00 0.00 57.45 57.47 1pfl n PHE 83 Cb 0.00 -3.13 -0.14 0.00 1.52 0.00 0.00 39.48 37.74 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 -4.09 -0.16 0.01 5.98 1.04 -0.94 -2.54 113.70 113.00 1pfl s SER 84 Ca 0.21 0.37 0.04 0.00 0.48 0.00 0.00 55.95 57.05 1pfl s SER 84 Cb -0.12 0.28 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 1pfl s SER 84 CO 0.94 -0.13 -0.14 -0.32 0.98 0.00 0.00 173.24 174.58 1pfl s MET 85 N 0.95 1.00 -0.21 4.02 1.75 -0.51 -0.89 119.30 125.40 1pfl s MET 85 Ca -0.07 -0.61 -0.13 0.00 -1.25 0.00 0.00 55.69 53.64 1pfl s MET 85 Cb -0.09 -0.98 -0.05 0.00 2.84 0.00 0.00 34.83 36.55 1pfl s MET 85 CO -0.05 0.26 0.26 -0.51 -0.65 0.00 0.00 175.02 174.32 1pfl s ASP 86 N -0.70 6.29 -0.15 1.11 1.01 -0.56 -1.49 116.67 122.17 1pfl s ASP 86 Ca 0.03 0.33 -0.04 0.00 0.71 0.00 0.00 52.55 53.58 1pfl s ASP 86 Cb -0.06 -2.16 0.08 0.00 1.01 0.00 0.00 42.92 41.78 1pfl s ASP 86 CO 0.00 0.04 0.24 -1.48 0.21 0.00 0.00 175.17 174.19 1pfl s LEU 87 N 0.94 -0.23 0.06 1.23 -0.00 -0.80 0.20 118.68 120.09 1pfl s LEU 87 Ca 0.13 0.26 0.08 0.00 -0.00 0.00 0.00 54.13 54.61 1pfl s LEU 87 Cb -0.13 0.56 -0.03 0.00 -0.00 0.00 0.00 46.19 46.59 1pfl s LEU 87 CO 0.05 -0.27 -0.23 0.00 -0.00 0.00 0.00 176.35 175.90 1pfl s ARG 88 N 2.38 1.45 -0.48 1.48 1.70 -0.74 -1.54 118.95 123.21 1pfl s ARG 88 Ca 0.04 -1.05 -0.27 0.00 -0.47 0.00 0.00 55.73 53.98 1pfl s ARG 88 Cb -0.13 -1.64 -0.04 0.00 -0.57 0.00 0.00 34.95 32.57 1pfl s ARG 88 CO -0.10 0.41 2.04 0.95 -1.08 0.00 0.00 175.30 177.53 1pfl s THR 89 N -0.87 3.24 0.80 4.99 -4.23 0.62 -0.00 115.64 120.19 1pfl s THR 89 Ca 0.09 0.19 -0.11 0.00 -1.18 0.00 0.00 61.69 60.68 1pfl s THR 89 Cb -0.09 -3.51 0.09 0.00 1.34 0.00 0.00 72.50 70.32 1pfl s THR 89 CO 0.03 -0.45 1.15 -0.54 -0.54 0.00 0.00 174.62 174.26 1pfl s LYS 90 N 7.04 1.84 0.27 3.99 1.02 -1.26 -1.97 119.74 130.67 1pfl s LYS 90 Ca 0.82 -0.09 0.10 0.00 0.02 0.00 0.00 55.97 56.82 1pfl s LYS 90 Cb -0.18 -2.01 -0.05 0.00 -0.52 0.00 0.00 37.83 35.07 1pfl s LYS 90 CO 0.26 -1.61 -0.16 0.45 -0.92 0.00 0.00 175.35 173.37 1pfl s SER 91 N -4.61 3.31 0.00 2.83 0.15 -1.26 -4.78 113.70 109.34 1pfl s SER 91 Ca 0.63 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 56.22 1pfl s SER 91 Cb -0.10 -0.26 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 1pfl s SER 91 CO 0.48 -0.08 0.00 0.35 1.20 0.00 0.00 173.24 175.20 1pfl n THR 92 N -0.59 0.00 -3.72 6.45 -2.24 -1.26 -4.89 114.28 108.03 1pfl n THR 92 Ca -0.06 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.35 1pfl n THR 92 Cb 0.61 -0.79 -0.10 0.00 -2.10 0.00 0.00 70.33 67.94 1pfl n THR 92 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1pfl s GLY 93 N -1.27 2.19 -1.91 3.38 0.00 -1.26 -4.63 107.32 103.82 1pfl s GLY 93 Ca 0.00 -2.80 0.00 0.00 0.00 0.00 0.00 44.72 41.92 1pfl s GLY 93 CO 0.00 1.07 0.00 0.61 0.00 0.00 0.00 173.10 174.78 1pfl n GLY 94 N 4.23 1.55 3.90 0.20 0.00 -1.26 -4.98 105.19 108.83 1pfl n GLY 94 Ca 0.01 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.71 2.92 -0.08 4.61 0.00 -1.26 -5.05 121.76 120.20 1pfl s ALA 95 Ca 0.00 -0.57 -0.20 0.00 0.00 0.00 0.00 51.96 51.18 1pfl s ALA 95 Cb 0.00 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 1pfl s ALA 95 CO 0.00 -1.27 0.57 -1.25 0.00 0.00 0.00 175.76 173.81 1pfl s PRO 96 N -5.35 4.36 0.35 0.00 0.04 -1.26 -4.74 135.00 128.39 1pfl s PRO 96 Ca 0.59 0.64 0.07 0.00 0.04 0.00 0.00 61.00 62.34 1pfl s PRO 96 Cb -0.11 -3.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.00 1pfl s PRO 96 CO 0.49 0.18 0.46 0.95 0.04 0.00 0.00 177.00 179.11 1pfl s THR 97 N 0.50 3.87 -0.17 1.26 -4.23 -1.26 -4.58 115.64 111.02 1pfl s THR 97 Ca 0.31 -1.05 -0.04 0.00 -1.18 0.00 0.00 61.69 59.73 1pfl s THR 97 Cb -0.17 -3.33 0.08 0.00 1.34 0.00 0.00 72.50 70.43 1pfl s THR 97 CO 0.14 -0.14 0.23 -0.36 -0.54 0.00 0.00 174.62 173.95 1pfl s PHE 98 N -2.21 -0.32 -0.15 3.99 0.08 -0.83 -4.26 117.98 114.28 1pfl s PHE 98 Ca 0.46 0.48 -0.08 0.00 0.12 0.00 0.00 56.93 57.91 1pfl s PHE 98 Cb -0.09 -0.26 -0.04 0.00 -0.57 0.00 0.00 43.02 42.06 1pfl s PHE 98 CO 0.31 -0.50 0.12 -0.80 -0.10 0.00 0.00 175.22 174.24 1pfl s ASN 99 N 2.35 6.17 0.40 1.36 0.01 0.92 -0.27 114.94 125.88 1pfl s ASN 99 Ca 0.05 0.34 0.08 0.00 -0.71 0.00 0.00 52.86 52.62 1pfl s ASN 99 Cb -0.14 -2.02 -0.06 0.00 0.41 0.00 0.00 41.25 39.44 1pfl s ASN 99 CO -0.10 0.32 0.09 -0.69 -1.51 0.00 0.00 177.10 175.20 1pfl s VAL 100 N -0.48 2.28 -0.03 1.60 1.01 -0.59 -0.88 120.40 123.31 1pfl s VAL 100 Ca 0.12 -1.86 -0.01 0.00 0.00 0.00 0.00 61.98 60.23 1pfl s VAL 100 Cb -0.12 -2.95 0.03 0.00 0.00 0.00 0.00 36.38 33.35 1pfl s VAL 100 CO 0.02 -0.05 0.07 -0.89 0.00 0.00 0.00 175.10 174.25 1pfl s THR 101 N -2.62 -0.06 -0.11 3.92 2.01 -0.03 -1.90 115.64 116.86 1pfl s THR 101 Ca 0.38 0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.60 1pfl s THR 101 Cb 0.05 -0.13 0.02 0.00 0.01 0.00 0.00 72.50 72.45 1pfl s THR 101 CO 0.20 0.09 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.41 1pfl s VAL 102 N 1.12 1.30 0.23 3.82 1.01 -0.56 -0.45 120.40 126.87 1pfl s VAL 102 Ca -0.09 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.48 1pfl s VAL 102 Cb -0.13 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1pfl s VAL 102 CO -0.04 0.41 0.04 0.42 0.00 0.00 0.00 175.10 175.93 1pfl s THR 103 N 1.26 3.78 -0.02 3.92 -4.23 -0.18 -1.43 115.64 118.75 1pfl s THR 103 Ca -0.02 -1.63 -0.03 0.00 -1.18 0.00 0.00 61.69 58.83 1pfl s THR 103 Cb -0.14 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.72 1pfl s THR 103 CO -0.05 -0.28 0.08 -0.75 -0.54 0.00 0.00 174.62 173.09 1pfl s LYS 104 N -3.46 0.20 0.00 3.99 2.47 -1.05 -0.71 119.74 121.18 1pfl s LYS 104 Ca 0.30 -0.07 0.00 0.00 -1.56 0.00 0.00 55.97 54.65 1pfl s LYS 104 Cb -0.08 0.08 0.00 0.00 -1.46 0.00 0.00 37.83 36.38 1pfl s LYS 104 CO 0.21 -0.03 0.00 0.25 0.16 0.00 0.00 175.35 175.93 1pfl n THR 105 N 2.57 0.00 0.30 3.43 -2.24 -0.98 -4.69 114.28 112.68 1pfl n THR 105 Ca -0.16 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.74 1pfl n THR 105 Cb 0.58 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.77 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 0.51 -0.37 3.42 -0.08 -1.07 -4.52 116.55 114.44 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 1.06 0.00 0.00 2.34 0.00 0.00 41.12 44.52 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 -2.21 0.00 -4.12 -0.67 5.02 -0.53 -5.10 118.16 110.55 1pfl n LYS 107 Ca -0.00 -0.67 -0.10 0.00 -2.02 0.00 0.00 58.31 55.53 1pfl n LYS 107 Cb 0.50 -0.38 -0.09 0.00 -0.02 0.00 0.00 35.03 35.03 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 0.10 -0.35 -0.18 -4.23 -1.26 -4.56 115.64 105.16 1pfl s THR 108 Ca 0.00 -1.82 -0.00 0.00 -1.18 0.00 0.00 61.69 58.68 1pfl s THR 108 Cb 0.00 -2.01 0.13 0.00 1.34 0.00 0.00 72.50 71.96 1pfl s THR 108 CO 0.00 -0.43 0.20 -0.22 -0.54 0.00 0.00 174.62 173.62 1pfl s LEU 109 N -3.04 1.16 0.30 4.79 0.20 -0.49 -2.31 118.68 119.29 1pfl s LEU 109 Ca 0.23 -2.09 -0.18 0.00 0.69 0.00 0.00 54.13 52.78 1pfl s LEU 109 Cb 0.07 -0.48 -0.09 0.00 -0.43 0.00 0.00 46.19 45.26 1pfl s LEU 109 CO 0.02 -0.33 0.77 -0.69 -0.29 0.00 0.00 176.35 175.83 1pfl s VAL 110 N 1.15 4.57 0.08 1.68 1.01 0.11 -0.37 120.40 128.64 1pfl s VAL 110 Ca 0.16 1.20 0.05 0.00 0.00 0.00 0.00 61.98 63.39 1pfl s VAL 110 Cb -0.22 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1pfl s VAL 110 CO -0.05 -0.03 -0.13 -0.76 0.00 0.00 0.00 175.10 174.13 1pfl s LEU 111 N -2.55 2.33 -0.28 3.92 1.43 0.47 -1.01 118.68 122.98 1pfl s LEU 111 Ca 0.50 -0.69 -0.03 0.00 -1.03 0.00 0.00 54.13 52.88 1pfl s LEU 111 Cb -0.13 -0.44 0.10 0.00 0.03 0.00 0.00 46.19 45.74 1pfl s LEU 111 CO 0.19 -0.14 0.12 -0.22 0.23 0.00 0.00 176.35 176.52 1pfl s LEU 112 N -2.01 0.94 -0.01 1.79 1.98 0.40 -1.78 118.68 120.00 1pfl s LEU 112 Ca 0.01 -1.30 -0.03 0.00 -2.89 0.00 0.00 54.13 49.92 1pfl s LEU 112 Cb -0.08 -0.47 -0.04 0.00 0.66 0.00 0.00 46.19 46.26 1pfl s LEU 112 CO 0.02 -0.42 0.19 -0.32 -1.89 0.00 0.00 176.35 173.93 1pfl s MET 113 N 1.98 3.45 -0.03 1.98 -2.45 -0.25 -0.85 119.30 123.14 1pfl s MET 113 Ca 0.08 -0.29 -0.03 0.00 -1.25 0.00 0.00 55.69 54.20 1pfl s MET 113 Cb -0.16 -3.10 0.01 0.00 1.25 0.00 0.00 34.83 32.83 1pfl s MET 113 CO -0.31 0.67 0.08 0.20 1.05 0.00 0.00 175.02 176.72 1pfl s GLY 114 N -1.90 -0.05 0.38 2.11 0.00 -0.06 -0.47 107.32 107.33 1pfl s GLY 114 Ca 0.27 0.19 0.08 0.00 0.00 0.00 0.00 44.72 45.26 1pfl s GLY 114 CO 0.18 0.15 0.18 0.54 0.00 0.00 0.00 173.10 174.15 1pfl s LYS 115 N -0.08 2.32 0.00 2.90 1.02 -1.23 -0.05 119.74 124.62 1pfl s LYS 115 Ca -0.01 -1.67 0.00 0.00 0.02 0.00 0.00 55.97 54.31 1pfl s LYS 115 Cb -0.01 -2.12 0.00 0.00 -0.52 0.00 0.00 37.83 35.18 1pfl s LYS 115 CO 0.00 -0.01 0.00 -1.91 -0.92 0.00 0.00 175.35 172.51 1pfl n GLU 116 N -1.22 0.00 -1.03 1.68 2.13 -1.26 -3.14 120.64 117.80 1pfl n GLU 116 Ca -0.02 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.79 1pfl n GLU 116 Cb 0.63 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.33 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 0.47 3.36 8.31 0.00 -1.26 -4.95 105.19 111.12 1pfl n GLY 117 Ca 0.00 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.86 4.95 -0.01 1.61 0.11 -1.19 -4.86 120.40 119.15 1pfl s VAL 118 Ca 0.00 -1.10 -0.09 0.00 -2.93 0.00 0.00 61.98 57.85 1pfl s VAL 118 Cb 0.00 -3.94 -0.31 0.00 -1.53 0.00 0.00 36.38 30.60 1pfl s VAL 118 CO 0.00 -0.52 0.80 -0.74 -3.33 0.00 0.00 175.10 171.31 1pfl h HIS 119 N 8.64 0.69 0.00 1.54 2.76 -1.91 -3.43 115.15 123.43 1pfl h HIS 119 Ca -0.27 -0.50 0.00 0.00 -2.20 0.00 0.00 60.37 57.40 1pfl h HIS 119 Cb 1.10 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.04 1pfl h HIS 119 CO 0.62 1.56 0.00 0.41 -1.30 0.00 0.00 177.93 179.22 1pfl n GLY 120 N 1.77 0.71 0.11 5.26 0.00 -1.26 -4.93 105.19 106.84 1pfl n GLY 120 Ca -0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 1pfl n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pfl n GLY 121 N -2.08 -0.84 0.18 -0.02 0.00 -1.26 -2.96 105.19 98.21 1pfl n GLY 121 Ca 0.00 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 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 0.81 -0.87 0.99 3.38 -1.98 -1.22 115.31 116.42 1pfl h LEU 122 Ca -0.55 -0.69 -0.08 0.00 0.09 0.00 0.00 57.88 56.65 1pfl h LEU 122 Cb 2.16 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.63 1pfl h LEU 122 CO 0.00 1.49 -0.01 0.40 0.09 0.00 0.00 178.44 180.42 1pfl h ILE 123 N 0.31 1.25 0.00 1.22 2.04 -1.94 0.14 117.51 120.52 1pfl h ILE 123 Ca -0.14 -1.04 -0.04 0.00 1.00 0.00 0.00 64.86 64.64 1pfl h ILE 123 Cb 1.76 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 1pfl h ILE 123 CO 0.21 0.37 -0.20 -1.13 0.00 0.00 0.00 178.15 177.40 1pfl h ASN 124 N 0.77 0.00 1.01 1.72 -0.73 -1.39 0.16 115.58 117.12 1pfl h ASN 124 Ca 0.15 0.00 -0.18 0.00 1.87 0.00 0.00 56.30 58.14 1pfl h ASN 124 Cb 0.48 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.04 1pfl h ASN 124 CO 0.02 0.20 -1.05 0.11 -0.37 0.00 0.00 177.43 176.34 1pfl h LYS 125 N 0.00 0.00 0.00 6.67 1.79 0.10 -2.77 116.57 122.36 1pfl h LYS 125 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1pfl h LYS 125 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1pfl h LYS 125 CO 0.03 0.58 -0.70 1.63 -1.08 0.00 0.00 179.45 179.91 1pfl n LYS 126 N -3.15 0.17 -0.02 3.15 5.02 0.33 -2.69 118.16 120.97 1pfl n LYS 126 Ca -0.04 0.03 -0.20 0.00 -2.02 0.00 0.00 58.31 56.07 1pfl n LYS 126 Cb 0.86 -1.58 -0.14 0.00 -0.02 0.00 0.00 35.03 34.15 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 0.05 0.85 0.02 0.00 3.20 -1.61 -1.44 116.97 118.04 1pfl h TYR 128 Ca -0.45 -0.10 -0.22 0.00 3.14 0.00 0.00 58.73 61.09 1pfl h TYR 128 Cb 2.01 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 40.04 1pfl h TYR 128 CO 0.06 0.76 -0.96 0.93 -1.64 0.00 0.00 178.16 177.32 1pfl h GLU 129 N 0.77 0.33 -0.53 1.82 4.39 -1.64 -2.25 114.58 117.48 1pfl h GLU 129 Ca 0.16 -0.38 -0.03 0.00 0.34 0.00 0.00 59.36 59.44 1pfl h GLU 129 Cb 0.40 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 1pfl h GLU 129 CO 0.01 1.08 0.19 1.98 -1.16 0.00 0.00 179.01 181.11 1pfl h MET 130 N 0.18 0.77 0.00 2.33 4.05 -1.12 0.22 114.93 121.36 1pfl h MET 130 Ca -0.08 -0.12 -0.06 0.00 -0.28 0.00 0.00 59.70 59.16 1pfl h MET 130 Cb 1.61 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 32.26 1pfl h MET 130 CO 0.16 0.65 -0.29 0.00 0.23 0.00 0.00 176.91 177.66 1pfl h ALA 131 N 1.45 0.88 0.00 0.39 0.00 -1.24 -2.30 119.26 118.45 1pfl h ALA 131 Ca 0.18 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1pfl h ALA 131 Cb 0.19 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1pfl h ALA 131 CO -0.01 0.37 -0.01 0.77 0.00 0.00 0.00 179.25 180.36 1pfl h SER 132 N 0.00 0.00 0.09 0.00 0.02 -0.32 0.25 113.55 113.59 1pfl h SER 132 Ca -0.00 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 1pfl h SER 132 Cb 1.02 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.59 1pfl h SER 132 CO 0.04 0.01 -1.07 -0.74 -1.14 0.00 0.00 176.83 173.93 1pfl h HIS 133 N 0.00 0.90 0.00 3.45 2.76 -1.14 -1.99 115.15 119.13 1pfl h HIS 133 Ca -0.00 -0.55 0.00 0.00 -2.20 0.00 0.00 60.37 57.62 1pfl h HIS 133 Cb 0.02 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 28.90 1pfl h HIS 133 CO 0.00 1.40 0.00 1.28 -1.30 0.00 0.00 177.93 179.31 1pfl n LEU 134 N -3.91 0.58 0.03 0.26 4.32 -0.22 0.14 117.00 118.20 1pfl n LEU 134 Ca -0.13 0.69 -0.20 0.00 -0.02 0.00 0.00 56.01 56.35 1pfl n LEU 134 Cb 0.90 -0.66 -0.14 0.00 -1.62 0.00 0.00 43.42 41.91 1pfl n LEU 134 CO 0.55 -0.68 -0.65 0.03 -1.22 0.00 0.00 177.39 175.42 1pfl h ARG 135 N 0.00 0.28 -0.00 3.23 2.47 -0.50 -3.14 114.38 116.71 1pfl h ARG 135 Ca 0.00 -0.47 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 1pfl h ARG 135 Cb 0.23 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1pfl h ARG 135 CO 0.00 1.16 -0.01 0.54 0.56 0.00 0.00 179.97 182.22 1pfl n ARG 136 N -3.47 0.74 0.08 0.04 1.74 -0.39 -2.85 116.66 112.54 1pfl n ARG 136 Ca -0.27 -0.05 0.12 0.00 -0.77 0.00 0.00 57.85 56.88 1pfl n ARG 136 Cb 1.06 -1.50 0.26 0.00 -1.02 0.00 0.00 32.46 31.26 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 -1.08 0.74 0.00 0.55 3.41 0.37 -4.94 113.62 112.67 1pfl n SER 137 Ca 0.19 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1pfl n SER 137 Cb 0.19 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1pfl n SER 137 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1pfl n GLN 138 N -2.17 0.00 0.00 4.33 7.27 -1.13 -5.05 117.38 120.63 1pfl n GLN 138 Ca 0.04 0.03 0.00 0.00 0.07 0.00 0.00 57.00 57.14 1pfl n GLN 138 Cb 0.43 -3.50 0.00 0.00 2.41 0.00 0.00 30.24 29.59 1pfl n GLN 138 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79