#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 1.36 0.25 0.00 0.00 -1.26 -5.00 105.19 100.55 1pfl n GLY 2 Ca 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 45.95 1pfl n GLY 2 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1pfl h TRP 3 N 0.00 0.38 -0.01 1.61 -0.00 -2.00 0.28 115.95 116.22 1pfl h TRP 3 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.93 1pfl h TRP 3 Cb 0.05 -0.07 -0.00 0.00 -0.00 0.00 0.00 29.16 29.14 1pfl h TRP 3 CO 0.00 0.04 0.01 -0.91 -0.00 0.00 0.00 178.44 177.58 1pfl h ASN 4 N 0.38 0.00 0.06 -3.49 4.21 -1.94 0.25 115.58 115.05 1pfl h ASN 4 Ca 0.36 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.70 1pfl h ASN 4 Cb 0.53 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.72 1pfl h ASN 4 CO -0.39 0.00 -0.63 0.00 -1.29 0.00 0.00 177.43 175.13 1pfl h ALA 5 N 1.98 0.61 0.00 -0.83 0.00 -1.34 0.33 119.26 120.01 1pfl h ALA 5 Ca 0.01 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1pfl h ALA 5 Cb 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1pfl h ALA 5 CO -0.00 0.71 0.00 0.66 0.00 0.00 0.00 179.25 180.62 1pfl n TYR 6 N -3.92 0.00 0.01 0.00 4.01 -0.01 -0.45 117.16 116.81 1pfl n TYR 6 Ca -0.04 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.67 1pfl n TYR 6 Cb 0.65 -0.49 -0.10 0.00 -0.31 0.00 0.00 39.34 39.09 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 -1.49 1.31 0.45 -0.72 2.08 -0.69 -3.22 119.36 117.08 1pfl n ILE 7 Ca 0.06 -0.72 0.10 0.00 0.56 0.00 0.00 62.75 62.75 1pfl n ILE 7 Cb 0.26 -0.82 0.43 0.00 -0.75 0.00 0.00 39.64 38.76 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 -2.93 0.44 0.44 4.38 9.92 0.11 -2.60 116.55 126.30 1pfl n ASP 8 Ca -0.12 0.60 -0.19 0.00 -0.53 0.00 0.00 54.79 54.55 1pfl n ASP 8 Cb 0.91 -0.70 -0.09 0.00 -0.64 0.00 0.00 41.12 40.59 1pfl n ASP 8 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 1pfl h ASN 9 N 0.00 -1.02 -0.91 -2.24 -1.24 -1.19 0.18 115.58 109.16 1pfl h ASN 9 Ca 0.00 0.04 0.23 0.00 0.71 0.00 0.00 56.30 57.28 1pfl h ASN 9 Cb 0.34 0.28 -0.13 0.00 0.73 0.00 0.00 38.32 39.54 1pfl h ASN 9 CO 0.00 -0.70 0.40 -0.07 -1.29 0.00 0.00 177.43 175.78 1pfl h LEU 10 N -1.14 0.34 -0.11 0.34 -0.00 -1.67 0.69 115.31 113.77 1pfl h LEU 10 Ca -0.11 0.16 -0.24 0.00 -0.00 0.00 0.00 57.88 57.69 1pfl h LEU 10 Cb 0.88 0.14 0.01 0.00 -0.00 0.00 0.00 40.66 41.69 1pfl h LEU 10 CO 0.16 -0.01 -0.98 0.24 -0.00 0.00 0.00 178.44 177.85 1pfl h MET 11 N 0.40 0.52 -0.00 1.13 2.86 -1.44 -3.18 114.93 115.21 1pfl h MET 11 Ca 0.57 -0.56 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1pfl h MET 11 Cb 1.10 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.92 1pfl h MET 11 CO -0.54 1.19 -0.04 0.00 1.06 0.00 0.00 176.91 178.59 1pfl n ALA 12 N -2.58 2.68 0.99 6.32 0.00 0.72 -4.24 120.51 124.40 1pfl n ALA 12 Ca -0.08 -0.28 0.12 0.00 0.00 0.00 0.00 53.44 53.19 1pfl n ALA 12 Cb 0.85 -1.37 0.06 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.72 2.61 -2.03 0.00 5.68 0.21 -4.97 116.55 117.32 1pfl n ASP 13 Ca 0.19 -1.81 -0.03 0.00 -0.50 0.00 0.00 54.79 52.64 1pfl n ASP 13 Cb 0.23 0.19 -0.01 0.00 -1.14 0.00 0.00 41.12 40.39 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 -0.33 0.00 6.12 0.00 -1.26 -4.28 105.19 106.81 1pfl n GLY 14 Ca 0.12 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.81 0.00 -0.56 2.61 -1.04 -1.26 -5.00 114.28 107.21 1pfl n THR 15 Ca 0.01 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.95 1pfl n THR 15 Cb 0.33 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.90 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 -2.32 0.00 -3.39 0.00 0.00 0.48 -3.87 117.38 108.29 1pfl n GLN 17 Ca 0.03 0.00 -0.14 0.00 -0.00 0.00 0.00 57.00 56.89 1pfl n GLN 17 Cb 0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 30.24 30.24 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 -2.11 0.80 -3.64 1.69 2.03 -1.08 -4.96 116.55 109.28 1pfl n ASP 18 Ca 0.00 -2.27 -0.03 0.00 0.52 0.00 0.00 54.79 53.00 1pfl n ASP 18 Cb 0.00 0.68 -0.07 0.00 -0.72 0.00 0.00 41.12 41.01 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 -2.68 -2.27 -0.20 -1.67 0.00 -1.26 -0.97 121.76 112.70 1pfl s ALA 19 Ca 0.14 2.06 -0.04 0.00 0.00 0.00 0.00 51.96 54.12 1pfl s ALA 19 Cb 0.01 -1.70 0.09 0.00 0.00 0.00 0.00 23.12 21.51 1pfl s ALA 19 CO 0.10 -0.30 0.20 0.00 0.00 0.00 0.00 175.76 175.77 1pfl s ALA 20 N 0.96 -0.15 -0.24 0.00 0.00 -0.70 -1.81 121.76 119.81 1pfl s ALA 20 Ca -0.05 0.13 -0.22 0.00 0.00 0.00 0.00 51.96 51.82 1pfl s ALA 20 Cb -0.04 -1.29 -0.01 0.00 0.00 0.00 0.00 23.12 21.78 1pfl s ALA 20 CO -0.12 -1.23 0.72 0.42 0.00 0.00 0.00 175.76 175.55 1pfl s ILE 21 N 2.29 4.92 -0.19 0.00 1.01 -0.84 -0.36 121.20 128.03 1pfl s ILE 21 Ca 0.06 1.34 0.00 0.00 0.00 0.00 0.00 60.65 62.05 1pfl s ILE 21 Cb -0.16 -4.02 0.04 0.00 0.01 0.00 0.00 42.46 38.34 1pfl s ILE 21 CO -0.13 -0.01 -0.08 -0.69 0.00 0.00 0.00 174.94 174.03 1pfl s VAL 22 N 2.62 1.49 -0.96 2.92 1.01 -0.47 -0.28 120.40 126.71 1pfl s VAL 22 Ca 0.30 -0.92 -0.25 0.00 0.00 0.00 0.00 61.98 61.11 1pfl s VAL 22 Cb -0.15 -1.61 -0.10 0.00 0.00 0.00 0.00 36.38 34.52 1pfl s VAL 22 CO 0.08 0.14 2.07 -0.83 0.00 0.00 0.00 175.10 176.56 1pfl s GLY 23 N 1.46 -0.22 -0.12 4.51 0.00 0.12 -1.54 107.32 111.53 1pfl s GLY 23 Ca -0.01 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.22 1pfl s GLY 23 CO -0.08 3.77 1.57 1.58 0.00 0.00 0.00 173.10 179.94 1pfl n TYR 24 N 15.87 0.70 0.00 1.90 4.11 -1.26 -1.20 117.16 137.29 1pfl n TYR 24 Ca 0.43 -1.09 0.00 0.00 -0.00 0.00 0.00 57.90 57.23 1pfl n TYR 24 Cb 0.46 -0.54 0.00 0.00 -0.00 0.00 0.00 39.34 39.26 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 0.50 1.92 -0.22 -3.48 4.01 -1.26 -4.72 118.16 114.91 1pfl n LYS 25 Ca 0.14 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.83 1pfl n LYS 25 Cb 0.66 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 35.11 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 -3.56 4.39 2.03 -2.00 -3.33 116.42 112.19 1pfl h ASP 26 Ca 0.00 0.26 -0.63 0.00 -0.73 0.00 0.00 57.03 55.93 1pfl h ASP 26 Cb 0.00 0.76 -0.18 0.00 -0.83 0.00 0.00 39.33 39.08 1pfl h ASP 26 CO 0.00 -0.35 -0.57 -0.94 -1.03 0.00 0.00 179.24 176.36 1pfl s SER 27 N -5.18 5.60 0.43 4.15 1.04 -1.26 -5.05 113.70 113.43 1pfl s SER 27 Ca -0.14 -0.03 -0.19 0.00 0.48 0.00 0.00 55.95 56.08 1pfl s SER 27 Cb 0.11 -2.00 -0.10 0.00 0.10 0.00 0.00 66.02 64.14 1pfl s SER 27 CO 0.64 0.05 0.91 -2.16 0.98 0.00 0.00 173.24 173.66 1pfl s PRO 28 N 1.12 4.12 0.16 4.02 0.04 -1.25 -4.69 135.00 138.52 1pfl s PRO 28 Ca 0.05 0.98 -0.18 0.00 0.04 0.00 0.00 61.00 61.90 1pfl s PRO 28 Cb -0.14 -2.22 0.04 0.00 0.04 0.00 0.00 34.50 32.21 1pfl s PRO 28 CO 0.04 -0.05 0.49 -1.54 0.04 0.00 0.00 177.00 175.98 1pfl s SER 29 N -2.42 -0.30 -0.68 6.66 1.04 -0.34 -4.83 113.70 112.84 1pfl s SER 29 Ca 0.60 -0.35 -0.22 0.00 0.48 0.00 0.00 55.95 56.46 1pfl s SER 29 Cb -0.09 0.54 0.08 0.00 0.10 0.00 0.00 66.02 66.65 1pfl s SER 29 CO 0.18 -0.97 0.95 -0.69 0.98 0.00 0.00 173.24 173.69 1pfl s VAL 30 N -3.83 4.44 0.20 5.02 1.01 -1.26 0.14 120.40 126.11 1pfl s VAL 30 Ca 0.06 -0.61 0.30 0.00 0.00 0.00 0.00 61.98 61.73 1pfl s VAL 30 Cb 0.00 -4.67 0.32 0.00 0.00 0.00 0.00 36.38 32.03 1pfl s VAL 30 CO -0.08 -1.42 1.97 -0.50 0.00 0.00 0.00 175.10 175.07 1pfl h TRP 31 N 9.42 0.00 0.00 5.22 4.06 -0.96 -3.42 115.95 130.27 1pfl h TRP 31 Ca -0.23 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.72 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 0.97 0.10 0.00 0.00 -3.56 0.00 0.00 178.44 175.95 1pfl n ALA 32 N -2.17 0.00 -3.21 1.49 0.00 -0.45 -4.92 120.51 111.25 1pfl n ALA 32 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.15 1pfl n ALA 32 Cb 0.32 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.61 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 1.76 -0.64 0.00 0.00 -1.26 -1.99 121.76 119.62 1pfl s ALA 33 Ca 0.00 -0.74 -0.32 0.00 0.00 0.00 0.00 51.96 50.90 1pfl s ALA 33 Cb 0.00 -0.67 -0.15 0.00 0.00 0.00 0.00 23.12 22.31 1pfl s ALA 33 CO 0.00 0.24 2.44 0.28 0.00 0.00 0.00 175.76 178.72 1pfl n VAL 34 N 3.51 0.03 -1.95 0.00 0.31 -0.75 -4.76 118.33 114.73 1pfl n VAL 34 Ca -0.20 -0.30 -0.33 0.00 -0.01 0.00 0.00 64.34 63.50 1pfl n VAL 34 Cb 0.52 -1.47 0.02 0.00 -0.91 0.00 0.00 33.84 32.01 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 7.82 3.14 0.00 5.55 0.04 -1.26 -3.99 135.00 146.30 1pfl s PRO 35 Ca 1.17 1.27 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1pfl s PRO 35 Cb -0.86 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 31.67 1pfl s PRO 35 CO 0.44 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 176.93 1pfl n GLY 36 N -0.84 2.57 0.00 0.56 0.00 -1.26 -4.99 105.19 101.23 1pfl n GLY 36 Ca 0.09 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1pfl n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pfl n LYS 37 N 0.00 0.00 0.00 1.61 4.76 -1.26 -5.07 118.16 118.21 1pfl n LYS 37 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1pfl n LYS 37 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1pfl n LYS 37 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1pfl n THR 38 N 0.00 0.00 -0.20 -0.18 -1.04 -1.26 -4.97 114.28 106.64 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 0.06 0.00 -1.82 0.00 0.00 70.33 68.57 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 0.61 -0.05 -1.42 -1.00 -1.88 -1.69 116.94 111.52 1pfl h PHE 39 Ca 0.00 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.81 1pfl h PHE 39 Cb 0.00 -0.19 -0.00 0.00 3.61 0.00 0.00 35.95 39.37 1pfl h PHE 39 CO 0.00 0.33 0.17 -0.24 -1.61 0.00 0.00 178.31 176.95 1pfl h VAL 40 N 0.64 0.13 -0.05 -0.55 3.04 -1.86 0.18 116.25 117.78 1pfl h VAL 40 Ca 0.24 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.93 1pfl h VAL 40 Cb 0.08 0.84 -0.00 0.00 -2.01 0.00 0.00 31.29 30.21 1pfl h VAL 40 CO -0.13 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.02 1pfl n ASN 41 N -3.21 1.51 -4.72 3.17 4.13 -0.63 -4.78 115.26 110.73 1pfl n ASN 41 Ca -0.01 -2.09 -0.42 0.00 1.68 0.00 0.00 54.58 53.74 1pfl n ASN 41 Cb 0.24 -0.52 -0.03 0.00 -1.54 0.00 0.00 39.78 37.93 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 -1.12 3.81 0.50 2.41 1.01 0.62 -4.43 121.20 124.01 1pfl s ILE 42 Ca 0.05 1.32 0.01 0.00 0.00 0.00 0.00 60.65 62.03 1pfl s ILE 42 Cb 0.04 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.67 1pfl s ILE 42 CO 0.01 0.11 0.05 0.35 0.00 0.00 0.00 174.94 175.46 1pfl n THR 43 N 3.79 0.00 0.89 2.92 -2.24 -1.26 -4.74 114.28 113.64 1pfl n THR 43 Ca 0.09 -2.32 0.07 0.00 -2.27 0.00 0.00 64.05 59.62 1pfl n THR 43 Cb 0.45 0.41 0.43 0.00 -2.10 0.00 0.00 70.33 69.52 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 -1.30 0.41 -0.03 -0.78 -0.04 -1.26 -1.66 135.00 130.34 1pfl n PRO 44 Ca -0.19 0.03 -0.01 0.00 -0.04 0.00 0.00 63.50 63.30 1pfl n PRO 44 Cb 0.63 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1pfl n PRO 44 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pfl h ALA 45 N 2.89 0.00 -0.10 0.55 0.00 -1.96 0.39 119.26 121.03 1pfl h ALA 45 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1pfl h ALA 45 Cb 0.03 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1pfl h ALA 45 CO 0.00 0.07 -0.04 1.05 0.00 0.00 0.00 179.25 180.33 1pfl h GLU 46 N -0.51 0.14 0.00 0.00 9.09 -1.78 0.12 114.58 121.64 1pfl h GLU 46 Ca 0.00 -0.02 -0.07 0.00 0.05 0.00 0.00 59.36 59.32 1pfl h GLU 46 Cb 0.07 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.13 1pfl h GLU 46 CO 0.00 0.19 -0.51 0.28 0.05 0.00 0.00 179.01 179.02 1pfl h VAL 47 N 0.14 0.44 0.00 -1.06 2.07 -1.46 -2.66 116.25 113.73 1pfl h VAL 47 Ca 0.03 -1.66 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 1pfl h VAL 47 Cb 0.16 2.14 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1pfl h VAL 47 CO 0.01 0.25 -0.07 1.23 0.02 0.00 0.00 177.57 179.01 1pfl h GLY 48 N 3.74 0.00 0.19 2.17 0.00 0.26 0.72 103.07 110.14 1pfl h GLY 48 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.94 1pfl h GLY 48 CO 0.03 0.00 -2.31 1.55 0.00 0.00 0.00 176.54 175.82 1pfl n VAL 49 N -4.29 1.52 0.30 4.60 3.14 -1.08 0.21 118.33 122.73 1pfl n VAL 49 Ca -0.03 -0.69 0.15 0.00 -2.96 0.00 0.00 64.34 60.81 1pfl n VAL 49 Cb 0.15 -1.15 0.68 0.00 -1.06 0.00 0.00 33.84 32.47 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 -1.27 -3.31 115.31 120.67 1pfl h LEU 50 Ca -0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1pfl h LEU 50 Cb 2.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 1pfl h LEU 50 CO -0.01 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.85 1pfl n VAL 51 N -2.58 0.00 -1.09 1.22 0.24 0.23 -5.04 118.33 111.31 1pfl n VAL 51 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.95 1pfl n VAL 51 Cb 0.17 1.12 0.08 0.00 -1.47 0.00 0.00 33.84 33.74 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 -1.93 0.22 7.63 0.00 0.13 -4.80 105.19 106.45 1pfl n GLY 52 Ca 0.00 -0.53 0.15 0.00 0.00 0.00 0.00 46.02 45.65 1pfl n GLY 52 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1pfl h LYS 53 N -0.80 0.00 -6.32 1.61 5.09 -1.95 -3.42 116.57 110.78 1pfl h LYS 53 Ca -0.45 0.00 -0.60 0.00 0.09 0.00 0.00 60.65 59.69 1pfl h LYS 53 Cb 1.33 0.00 0.02 0.00 0.10 0.00 0.00 32.23 33.68 1pfl h LYS 53 CO 0.38 0.00 1.07 -3.47 -2.09 0.00 0.00 179.45 175.34 1pfl n ASP 54 N -2.59 3.47 -1.35 7.07 -0.08 -1.26 -4.87 116.55 116.94 1pfl n ASP 54 Ca -0.01 0.98 -0.09 0.00 -1.51 0.00 0.00 54.79 54.16 1pfl n ASP 54 Cb 0.09 -1.39 0.15 0.00 2.34 0.00 0.00 41.12 42.31 1pfl n ASP 54 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1pfl n ARG 55 N 6.22 2.27 0.00 -0.67 0.63 -1.26 -4.76 116.66 119.09 1pfl n ARG 55 Ca 0.21 -3.46 0.00 0.00 -0.92 0.00 0.00 57.85 53.69 1pfl n ARG 55 Cb 0.30 -1.92 0.00 0.00 0.45 0.00 0.00 32.46 31.29 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 -1.01 0.00 0.00 6.15 2.88 -1.26 -5.08 113.62 115.30 1pfl n SER 56 Ca 0.35 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 1pfl n SER 56 Cb 0.93 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.39 1pfl n SER 56 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1pfl n SER 57 N 0.00 0.00 0.25 -3.46 3.41 -1.26 -4.43 113.62 108.14 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 -0.31 0.00 0.02 7.33 1.16 -1.26 -1.98 117.46 122.42 1pfl n PHE 58 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1pfl n PHE 58 Cb 0.00 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 37.88 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 -2.08 0.00 0.00 2.97 4.01 -1.26 -1.62 117.16 119.18 1pfl n TYR 59 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1pfl n TYR 59 Cb 0.82 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 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 -1.39 0.00 0.02 -0.72 0.24 -0.84 -4.69 118.33 110.95 1pfl n VAL 60 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.15 1pfl n VAL 60 Cb 0.00 -0.86 -0.14 0.00 -1.47 0.00 0.00 33.84 31.37 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 0.25 -5.00 -1.34 7.08 -1.69 -3.48 115.58 111.40 1pfl h ASN 61 Ca 0.00 -0.45 0.00 0.00 -3.08 0.00 0.00 56.30 52.77 1pfl h ASN 61 Cb 0.89 -0.08 0.00 0.00 -2.08 0.00 0.00 38.32 37.05 1pfl h ASN 61 CO 0.00 1.39 0.00 0.61 -2.08 0.00 0.00 177.43 177.35 1pfl n GLY 62 N 1.71 3.10 0.00 9.14 0.00 -0.64 -4.78 105.19 113.73 1pfl n GLY 62 Ca -0.20 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1pfl n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pfl n LEU 63 N 0.00 0.00 -3.64 0.99 4.77 0.21 -4.76 117.00 114.57 1pfl n LEU 63 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1pfl n LEU 63 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1pfl n LEU 63 CO 0.00 0.00 0.37 0.42 -1.33 0.00 0.00 177.39 176.85 1pfl s THR 64 N 0.46 0.00 -0.28 -5.08 -4.23 -1.26 -2.31 115.64 102.94 1pfl s THR 64 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.49 1pfl s THR 64 Cb 0.00 -1.00 0.09 0.00 1.34 0.00 0.00 72.50 72.93 1pfl s THR 64 CO 0.00 0.00 0.09 -1.48 -0.54 0.00 0.00 174.62 172.69 1pfl s LEU 65 N 1.49 1.72 -0.41 4.79 0.05 -0.81 -4.42 118.68 121.09 1pfl s LEU 65 Ca -0.09 -1.39 0.00 0.00 0.05 0.00 0.00 54.13 52.70 1pfl s LEU 65 Cb -0.05 -0.72 0.00 0.00 -2.05 0.00 0.00 46.19 43.37 1pfl s LEU 65 CO -0.17 -0.39 0.00 0.61 -0.55 0.00 0.00 176.35 175.84 1pfl n GLY 66 N 4.96 0.35 1.36 -3.48 0.00 -1.25 -2.65 105.19 104.47 1pfl n GLY 66 Ca -0.04 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.43 0.66 3.29 -0.02 0.00 -1.26 -4.88 105.19 101.55 1pfl n GLY 67 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 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 2.64 -0.16 1.61 2.00 -1.08 -5.05 119.66 119.29 1pfl s GLN 68 Ca 0.00 -1.22 -0.29 0.00 -2.00 0.00 0.00 55.36 51.85 1pfl s GLN 68 Cb 0.00 -3.56 -0.06 0.00 0.80 0.00 0.00 33.01 30.19 1pfl s GLN 68 CO 0.00 -0.73 2.17 1.17 -0.50 0.00 0.00 175.29 177.40 1pfl n LYS 69 N 4.86 2.16 -4.24 1.67 3.00 -1.26 -1.93 118.16 122.42 1pfl n LYS 69 Ca -0.12 0.65 -0.23 0.00 -0.00 0.00 0.00 58.31 58.61 1pfl n LYS 69 Cb 0.45 -3.19 -0.07 0.00 0.00 0.00 0.00 35.03 32.21 1pfl n LYS 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pfl s SER 71 N -3.74 4.19 0.02 0.00 1.04 -0.50 0.65 113.70 115.36 1pfl s SER 71 Ca 0.34 -1.34 -0.37 0.00 0.48 0.00 0.00 55.95 55.06 1pfl s SER 71 Cb -0.04 -1.38 -0.17 0.00 0.10 0.00 0.00 66.02 64.54 1pfl s SER 71 CO 0.21 -0.22 1.40 0.52 0.98 0.00 0.00 173.24 176.13 1pfl n VAL 72 N 4.53 0.05 -3.50 5.02 0.31 -1.26 -1.72 118.33 121.77 1pfl n VAL 72 Ca -0.12 -0.01 -0.27 0.00 -0.01 0.00 0.00 64.34 63.93 1pfl n VAL 72 Cb 0.43 -0.86 -0.09 0.00 -0.91 0.00 0.00 33.84 32.41 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 2.85 1.10 -0.15 2.52 5.41 0.34 -4.80 119.36 126.62 1pfl n ILE 73 Ca 0.20 -4.65 0.00 0.00 1.00 0.00 0.00 62.75 59.29 1pfl n ILE 73 Cb 0.18 -2.04 0.00 0.00 -0.71 0.00 0.00 39.64 37.07 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 1.51 0.00 -2.03 0.38 0.63 -1.26 -3.40 116.66 112.48 1pfl n ARG 74 Ca 0.26 0.05 -0.39 0.00 -0.92 0.00 0.00 57.85 56.85 1pfl n ARG 74 Cb 0.43 -0.15 -0.03 0.00 0.45 0.00 0.00 32.46 33.15 1pfl n ARG 74 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1pfl s ASP 75 N -0.12 5.34 -0.12 6.15 2.15 -1.26 -3.64 116.67 125.16 1pfl s ASP 75 Ca 0.00 0.46 0.15 0.00 0.43 0.00 0.00 52.55 53.59 1pfl s ASP 75 Cb 0.00 -2.53 0.34 0.00 -0.30 0.00 0.00 42.92 40.43 1pfl s ASP 75 CO 0.00 -2.30 1.23 -1.54 -0.17 0.00 0.00 175.17 172.39 1pfl n SER 76 N 12.49 2.87 0.00 -0.34 3.41 0.24 -4.95 113.62 127.34 1pfl n SER 76 Ca 0.21 -2.86 0.00 0.00 -0.26 0.00 0.00 58.87 55.96 1pfl n SER 76 Cb 0.52 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1pfl n SER 76 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1pfl n LEU 77 N -0.87 0.00 -1.96 1.04 7.94 -1.07 0.13 117.00 122.22 1pfl n LEU 77 Ca 0.16 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.98 1pfl n LEU 77 Cb 0.66 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.50 1pfl n LEU 77 CO 0.06 0.00 1.32 0.00 -1.11 0.00 0.00 177.39 177.66 1pfl n LEU 78 N 0.00 4.52 -3.12 -1.96 -0.00 -1.26 -1.65 117.00 113.52 1pfl n LEU 78 Ca 0.00 -2.63 -0.33 0.00 -0.00 0.00 0.00 56.01 53.05 1pfl n LEU 78 Cb 0.00 -1.16 -0.01 0.00 -0.00 0.00 0.00 43.42 42.25 1pfl n LEU 78 CO 0.00 1.27 0.72 0.00 -0.00 0.00 0.00 177.39 179.38 1pfl n GLN 79 N 2.34 3.97 0.00 1.47 10.64 -1.25 -5.00 117.38 129.55 1pfl n GLN 79 Ca 0.28 -4.63 0.00 0.00 -1.83 0.00 0.00 57.00 50.82 1pfl n GLN 79 Cb 0.71 -2.32 0.00 0.00 -0.86 0.00 0.00 30.24 27.77 1pfl n GLN 79 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1pfl n ASP 80 N -0.24 0.00 0.00 2.61 2.03 -1.26 -3.16 116.55 116.53 1pfl n ASP 80 Ca 0.40 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.71 1pfl n ASP 80 Cb 0.36 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 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 0.00 1.10 2.06 0.27 0.00 -1.26 -4.88 105.19 102.48 1pfl n GLY 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.74 0.00 -3.51 1.61 4.71 -1.19 -5.07 120.64 115.46 1pfl n GLU 82 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1pfl n GLU 82 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 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 -2.94 0.00 -3.74 -0.32 -1.74 0.36 -4.81 117.46 104.27 1pfl n PHE 83 Ca 0.00 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.77 1pfl n PHE 83 Cb 0.00 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 40.88 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 -4.65 -0.31 -0.04 5.98 1.04 -0.61 -2.81 113.70 112.30 1pfl s SER 84 Ca 0.00 0.60 -0.00 0.00 0.48 0.00 0.00 55.95 57.02 1pfl s SER 84 Cb 0.00 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.67 1pfl s SER 84 CO 0.00 -0.14 0.01 -0.32 0.98 0.00 0.00 173.24 173.76 1pfl s MET 85 N 0.86 0.30 -1.20 4.02 1.75 -0.54 -0.60 119.30 123.89 1pfl s MET 85 Ca -0.06 0.12 -0.10 0.00 -1.25 0.00 0.00 55.69 54.40 1pfl s MET 85 Cb -0.07 -0.56 0.21 0.00 2.84 0.00 0.00 34.83 37.25 1pfl s MET 85 CO -0.06 -0.19 1.53 -0.25 -0.65 0.00 0.00 175.02 175.41 1pfl n ASP 86 N 4.45 5.39 -4.49 1.11 8.00 -1.22 -0.91 116.55 128.87 1pfl n ASP 86 Ca -0.20 -3.09 -0.43 0.00 0.71 0.00 0.00 54.79 51.78 1pfl n ASP 86 Cb 0.50 -1.47 -0.06 0.00 -0.02 0.00 0.00 41.12 40.07 1pfl n ASP 86 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1pfl s LEU 87 N 0.02 4.59 -0.13 0.64 -0.00 0.11 0.13 118.68 124.04 1pfl s LEU 87 Ca 0.38 -0.56 -0.02 0.00 -0.00 0.00 0.00 54.13 53.93 1pfl s LEU 87 Cb 0.01 -2.65 -0.03 0.00 -0.00 0.00 0.00 46.19 43.52 1pfl s LEU 87 CO 0.00 -0.92 -0.04 0.00 -0.00 0.00 0.00 176.35 175.38 1pfl s ARG 88 N 3.00 3.39 -0.75 1.48 1.70 -0.70 -2.02 118.95 125.05 1pfl s ARG 88 Ca 0.22 -0.52 -0.25 0.00 -0.47 0.00 0.00 55.73 54.71 1pfl s ARG 88 Cb -0.16 -2.82 -0.14 0.00 -0.57 0.00 0.00 34.95 31.26 1pfl s ARG 88 CO 0.16 0.38 2.41 0.25 -1.08 0.00 0.00 175.30 177.42 1pfl n THR 89 N 3.10 -0.02 -1.83 4.99 -2.24 0.29 -1.41 114.28 117.16 1pfl n THR 89 Ca -0.18 -0.56 -0.30 0.00 -2.27 0.00 0.00 64.05 60.75 1pfl n THR 89 Cb 0.53 -1.98 0.05 0.00 -2.10 0.00 0.00 70.33 66.83 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 8.64 2.78 0.54 -0.78 1.02 -1.26 -1.52 119.74 129.16 1pfl s LYS 90 Ca 0.98 0.51 0.02 0.00 0.02 0.00 0.00 55.97 57.51 1pfl s LYS 90 Cb -0.23 -2.01 0.02 0.00 -0.52 0.00 0.00 37.83 35.09 1pfl s LYS 90 CO 0.17 -1.10 0.17 0.45 -0.92 0.00 0.00 175.35 174.12 1pfl s SER 91 N -4.27 4.35 -0.23 2.83 0.15 -1.26 -4.85 113.70 110.41 1pfl s SER 91 Ca 0.58 -1.52 0.21 0.00 0.70 0.00 0.00 55.95 55.92 1pfl s SER 91 Cb -0.12 0.59 0.49 0.00 -1.71 0.00 0.00 66.02 65.28 1pfl s SER 91 CO 0.52 -1.01 1.13 0.35 1.20 0.00 0.00 173.24 175.43 1pfl n THR 92 N -1.51 1.35 0.00 6.45 -2.24 -1.26 -5.00 114.28 112.07 1pfl n THR 92 Ca -0.13 -2.92 0.00 0.00 -2.27 0.00 0.00 64.05 58.73 1pfl n THR 92 Cb 0.66 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 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 -0.51 0.42 0.82 3.38 0.00 -1.26 -4.82 105.19 103.23 1pfl n GLY 93 Ca 0.13 -0.26 0.05 0.00 0.00 0.00 0.00 46.02 45.93 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 1.17 3.91 -0.02 0.00 -1.26 -4.92 105.19 104.08 1pfl n GLY 94 Ca 0.00 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.63 2.96 0.11 4.61 0.00 -1.26 -5.07 121.76 121.47 1pfl s ALA 95 Ca 0.24 -0.73 -0.08 0.00 0.00 0.00 0.00 51.96 51.40 1pfl s ALA 95 Cb 0.15 -2.78 -0.06 0.00 0.00 0.00 0.00 23.12 20.43 1pfl s ALA 95 CO 0.13 -1.36 0.40 -1.25 0.00 0.00 0.00 175.76 173.68 1pfl s PRO 96 N -5.35 3.71 0.22 0.00 0.04 -1.26 -4.76 135.00 127.60 1pfl s PRO 96 Ca 0.60 0.09 0.11 0.00 0.04 0.00 0.00 61.00 61.84 1pfl s PRO 96 Cb -0.11 -2.92 -0.05 0.00 0.04 0.00 0.00 34.50 31.46 1pfl s PRO 96 CO 0.47 0.51 -0.22 0.95 0.04 0.00 0.00 177.00 178.76 1pfl s THR 97 N -1.51 2.45 -0.05 1.26 -4.23 -1.26 -4.21 115.64 108.08 1pfl s THR 97 Ca 0.37 -2.12 -0.04 0.00 -1.18 0.00 0.00 61.69 58.71 1pfl s THR 97 Cb -0.13 -2.21 0.01 0.00 1.34 0.00 0.00 72.50 71.51 1pfl s THR 97 CO 0.20 -0.20 0.12 -0.36 -0.54 0.00 0.00 174.62 173.84 1pfl s PHE 98 N -1.93 -0.13 -0.02 3.99 0.08 -0.57 -4.56 117.98 114.84 1pfl s PHE 98 Ca 0.24 0.33 0.06 0.00 0.12 0.00 0.00 56.93 57.67 1pfl s PHE 98 Cb -0.07 0.05 -0.03 0.00 -0.57 0.00 0.00 43.02 42.40 1pfl s PHE 98 CO 0.12 -0.07 -0.19 -0.80 -0.10 0.00 0.00 175.22 174.19 1pfl s ASN 99 N 0.07 3.69 0.02 1.36 0.01 -0.48 0.10 114.94 119.70 1pfl s ASN 99 Ca -0.00 -0.33 0.05 0.00 -0.71 0.00 0.00 52.86 51.87 1pfl s ASN 99 Cb -0.01 -0.64 -0.02 0.00 0.41 0.00 0.00 41.25 40.99 1pfl s ASN 99 CO 0.00 0.32 -0.15 -0.69 -1.51 0.00 0.00 177.10 175.07 1pfl s VAL 100 N -0.74 1.18 -0.16 1.60 1.01 -0.86 -0.25 120.40 122.18 1pfl s VAL 100 Ca 0.12 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 1pfl s VAL 100 Cb -0.10 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 1pfl s VAL 100 CO 0.01 0.17 -0.11 -0.89 0.00 0.00 0.00 175.10 174.28 1pfl s THR 101 N -0.61 3.10 -0.22 3.92 2.01 -0.17 -0.71 115.64 122.95 1pfl s THR 101 Ca 0.04 -0.62 -0.00 0.00 0.31 0.00 0.00 61.69 61.41 1pfl s THR 101 Cb -0.07 -2.33 0.02 0.00 0.01 0.00 0.00 72.50 70.13 1pfl s THR 101 CO 0.00 0.50 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.62 1pfl s VAL 102 N 0.73 2.53 0.27 3.82 1.01 -0.09 -0.05 120.40 128.62 1pfl s VAL 102 Ca -0.05 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 60.98 1pfl s VAL 102 Cb -0.15 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1pfl s VAL 102 CO 0.02 0.34 0.40 0.42 0.00 0.00 0.00 175.10 176.28 1pfl s THR 103 N 1.30 5.11 -0.00 3.92 -4.23 0.54 -1.47 115.64 120.82 1pfl s THR 103 Ca 0.02 -0.91 0.01 0.00 -1.18 0.00 0.00 61.69 59.63 1pfl s THR 103 Cb -0.15 -3.81 -0.00 0.00 1.34 0.00 0.00 72.50 69.87 1pfl s THR 103 CO -0.08 -0.35 -0.03 -0.75 -0.54 0.00 0.00 174.62 172.88 1pfl s LYS 104 N -4.05 0.24 0.00 3.99 2.47 -1.12 -1.44 119.74 119.83 1pfl s LYS 104 Ca 0.36 -0.09 0.00 0.00 -1.56 0.00 0.00 55.97 54.68 1pfl s LYS 104 Cb -0.09 -0.24 0.00 0.00 -1.46 0.00 0.00 37.83 36.03 1pfl s LYS 104 CO 0.30 0.05 0.00 0.25 0.16 0.00 0.00 175.35 176.11 1pfl n THR 105 N 3.07 0.00 0.25 3.43 -2.24 -1.09 -4.70 114.28 113.00 1pfl n THR 105 Ca -0.13 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.76 1pfl n THR 105 Cb 0.58 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.74 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 0.43 -0.59 3.42 2.03 -1.26 -4.62 116.55 115.96 1pfl n ASP 106 Ca 0.00 -0.06 -0.00 0.00 0.52 0.00 0.00 54.79 55.25 1pfl n ASP 106 Cb 0.00 1.25 -0.01 0.00 -0.72 0.00 0.00 41.12 41.64 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 -2.22 0.00 -4.05 -0.67 5.02 -1.26 -5.10 118.16 109.88 1pfl n LYS 107 Ca -0.01 -0.49 -0.10 0.00 -2.02 0.00 0.00 58.31 55.69 1pfl n LYS 107 Cb 0.51 -0.11 -0.11 0.00 -0.02 0.00 0.00 35.03 35.31 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 0.33 -0.55 -0.18 -4.23 -1.26 -4.33 115.64 105.42 1pfl s THR 108 Ca 0.02 -1.29 0.04 0.00 -1.18 0.00 0.00 61.69 59.28 1pfl s THR 108 Cb 0.02 -0.82 0.15 0.00 1.34 0.00 0.00 72.50 73.19 1pfl s THR 108 CO -0.01 -0.63 0.34 -0.22 -0.54 0.00 0.00 174.62 173.56 1pfl s LEU 109 N -2.02 3.74 0.30 4.79 1.98 -0.59 -2.65 118.68 124.22 1pfl s LEU 109 Ca -0.06 -3.19 -0.26 0.00 -2.89 0.00 0.00 54.13 47.73 1pfl s LEU 109 Cb -0.04 -1.35 -0.10 0.00 0.66 0.00 0.00 46.19 45.36 1pfl s LEU 109 CO -0.03 -0.19 0.93 -0.69 -1.89 0.00 0.00 176.35 174.48 1pfl s VAL 110 N -0.46 4.21 0.10 1.68 1.01 -0.52 -1.37 120.40 125.05 1pfl s VAL 110 Ca 0.21 1.84 0.06 0.00 0.00 0.00 0.00 61.98 64.10 1pfl s VAL 110 Cb -0.16 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 1pfl s VAL 110 CO -0.07 0.23 -0.16 -0.76 0.00 0.00 0.00 175.10 174.34 1pfl s LEU 111 N -1.85 2.33 -0.28 3.92 1.43 0.51 -0.33 118.68 124.41 1pfl s LEU 111 Ca 0.47 -0.71 -0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1pfl s LEU 111 Cb -0.20 -0.61 0.09 0.00 0.03 0.00 0.00 46.19 45.50 1pfl s LEU 111 CO 0.25 -0.07 0.10 -0.22 0.23 0.00 0.00 176.35 176.64 1pfl s LEU 112 N -2.07 1.51 0.18 1.79 1.98 0.93 -1.73 118.68 121.28 1pfl s LEU 112 Ca 0.04 -1.40 -0.14 0.00 -2.89 0.00 0.00 54.13 49.74 1pfl s LEU 112 Cb -0.08 -0.65 -0.07 0.00 0.66 0.00 0.00 46.19 46.05 1pfl s LEU 112 CO 0.03 -0.41 0.58 -0.32 -1.89 0.00 0.00 176.35 174.35 1pfl s MET 113 N 1.81 4.00 0.02 1.98 -2.45 -0.15 -1.00 119.30 123.51 1pfl s MET 113 Ca 0.08 0.53 -0.01 0.00 -1.25 0.00 0.00 55.69 55.03 1pfl s MET 113 Cb -0.17 -2.86 -0.02 0.00 1.25 0.00 0.00 34.83 33.04 1pfl s MET 113 CO -0.26 0.43 -0.00 0.20 1.05 0.00 0.00 175.02 176.43 1pfl s GLY 114 N -1.82 0.21 0.25 2.11 0.00 0.65 -0.39 107.32 108.34 1pfl s GLY 114 Ca 0.41 -0.52 0.04 0.00 0.00 0.00 0.00 44.72 44.65 1pfl s GLY 114 CO 0.20 -0.60 -0.01 0.54 0.00 0.00 0.00 173.10 173.22 1pfl s LYS 115 N -1.47 1.42 0.00 2.90 1.02 -1.16 -1.38 119.74 121.07 1pfl s LYS 115 Ca -0.16 -1.73 0.00 0.00 0.02 0.00 0.00 55.97 54.11 1pfl s LYS 115 Cb -0.09 -0.77 0.00 0.00 -0.52 0.00 0.00 37.83 36.45 1pfl s LYS 115 CO -0.01 -0.08 0.00 -1.91 -0.92 0.00 0.00 175.35 172.44 1pfl n GLU 116 N -0.49 0.00 -1.09 1.68 2.13 -1.26 -3.16 120.64 118.45 1pfl n GLU 116 Ca -0.05 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.74 1pfl n GLU 116 Cb 0.64 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.34 1pfl n GLU 116 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pfl n GLY 117 N 0.00 0.59 3.30 8.31 0.00 -1.26 -4.90 105.19 111.23 1pfl n GLY 117 Ca 0.00 -0.32 -0.45 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.93 5.26 0.16 1.61 0.11 -1.19 -4.83 120.40 119.59 1pfl s VAL 118 Ca 0.00 -2.19 -0.03 0.00 -2.93 0.00 0.00 61.98 56.83 1pfl s VAL 118 Cb 0.00 -4.30 -0.12 0.00 -1.53 0.00 0.00 36.38 30.43 1pfl s VAL 118 CO 0.00 -0.96 1.40 -0.74 -3.33 0.00 0.00 175.10 171.48 1pfl h HIS 119 N 8.08 0.59 0.00 1.54 2.76 -1.92 -3.45 115.15 122.75 1pfl h HIS 119 Ca -0.04 -0.27 0.00 0.00 -2.20 0.00 0.00 60.37 57.86 1pfl h HIS 119 Cb 1.05 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.93 1pfl h HIS 119 CO 0.90 1.04 0.00 0.41 -1.30 0.00 0.00 177.93 178.98 1pfl n GLY 120 N 0.63 3.41 0.09 5.26 0.00 -1.26 -4.87 105.19 108.45 1pfl n GLY 120 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 1.06 -0.02 0.00 -1.97 -0.79 103.07 101.36 1pfl h GLY 121 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 1pfl h GLY 121 CO 0.00 0.00 -0.78 1.41 0.00 0.00 0.00 176.54 177.17 1pfl h LEU 122 N 0.00 0.81 -0.80 3.11 3.38 -1.98 -0.39 115.31 119.44 1pfl h LEU 122 Ca -0.15 -0.69 -0.12 0.00 0.09 0.00 0.00 57.88 57.02 1pfl h LEU 122 Cb 1.75 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 1pfl h LEU 122 CO 0.08 1.38 -0.39 0.40 0.09 0.00 0.00 178.44 180.00 1pfl h ILE 123 N 0.31 1.30 0.00 1.22 2.04 -1.96 0.22 117.51 120.64 1pfl h ILE 123 Ca -0.08 -1.52 -0.03 0.00 1.00 0.00 0.00 64.86 64.23 1pfl h ILE 123 Cb 1.44 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 39.10 1pfl h ILE 123 CO 0.16 0.47 -0.14 -1.13 0.00 0.00 0.00 178.15 177.51 1pfl h ASN 124 N 0.36 0.00 0.67 1.72 -1.24 -0.85 0.44 115.58 116.69 1pfl h ASN 124 Ca 0.03 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.78 1pfl h ASN 124 Cb 0.85 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.86 1pfl h ASN 124 CO 0.07 0.14 -1.43 0.11 -1.29 0.00 0.00 177.43 175.02 1pfl h LYS 125 N 0.00 0.02 0.00 6.67 1.79 0.40 -2.78 116.57 122.68 1pfl h LYS 125 Ca -0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1pfl h LYS 125 Cb 0.31 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1pfl h LYS 125 CO 0.02 0.74 -0.51 1.63 -1.08 0.00 0.00 179.45 180.25 1pfl n LYS 126 N -3.20 0.08 -0.03 3.15 5.02 0.65 -2.39 118.16 121.45 1pfl n LYS 126 Ca -0.11 0.02 -0.15 0.00 -2.02 0.00 0.00 58.31 56.05 1pfl n LYS 126 Cb 1.01 -1.55 -0.14 0.00 -0.02 0.00 0.00 35.03 34.33 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 0.03 0.10 0.08 0.00 3.20 -1.54 -0.19 116.97 118.66 1pfl h TYR 128 Ca -0.39 -0.01 -0.30 0.00 3.14 0.00 0.00 58.73 61.17 1pfl h TYR 128 Cb 2.03 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 40.26 1pfl h TYR 128 CO 0.04 0.31 -1.55 0.93 -1.64 0.00 0.00 178.16 176.25 1pfl h GLU 129 N 0.09 0.17 -0.48 1.82 4.39 -1.54 -0.05 114.58 118.98 1pfl h GLU 129 Ca 0.02 -0.29 0.01 0.00 0.34 0.00 0.00 59.36 59.44 1pfl h GLU 129 Cb 0.43 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.16 1pfl h GLU 129 CO 0.03 0.98 0.31 1.98 -1.16 0.00 0.00 179.01 181.14 1pfl h MET 130 N 0.05 0.60 0.00 2.33 4.05 -0.79 -0.88 114.93 120.28 1pfl h MET 130 Ca -0.24 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.14 1pfl h MET 130 Cb 1.99 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 32.65 1pfl h MET 130 CO 0.13 0.40 -0.04 0.00 0.23 0.00 0.00 176.91 177.64 1pfl h ALA 131 N 1.19 0.98 0.00 0.39 0.00 -1.14 -3.04 119.26 117.64 1pfl h ALA 131 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1pfl h ALA 131 Cb -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1pfl h ALA 131 CO -0.06 0.00 -0.04 0.66 0.00 0.00 0.00 179.25 179.81 1pfl h SER 132 N 0.00 0.00 0.25 0.00 4.64 0.45 0.62 113.55 119.51 1pfl h SER 132 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 1pfl h SER 132 Cb 0.98 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.11 1pfl h SER 132 CO 0.00 0.04 -1.50 -0.74 -0.87 0.00 0.00 176.83 173.76 1pfl h HIS 133 N 0.00 0.97 0.00 4.77 2.76 -1.37 -1.62 115.15 120.67 1pfl h HIS 133 Ca -0.00 -0.71 0.00 0.00 -2.20 0.00 0.00 60.37 57.46 1pfl h HIS 133 Cb 0.08 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.00 1pfl h HIS 133 CO 0.00 1.57 0.00 1.28 -1.30 0.00 0.00 177.93 179.48 1pfl n LEU 134 N -3.72 0.00 -0.03 0.26 4.32 -0.18 0.11 117.00 117.75 1pfl n LEU 134 Ca -0.17 0.42 -0.18 0.00 -0.02 0.00 0.00 56.01 56.05 1pfl n LEU 134 Cb 1.10 -0.42 -0.14 0.00 -1.62 0.00 0.00 43.42 42.35 1pfl n LEU 134 CO 0.60 -0.23 -0.91 0.54 -1.22 0.00 0.00 177.39 176.18 1pfl n ARG 135 N -1.42 0.72 0.00 3.23 5.12 0.20 -3.62 116.66 120.89 1pfl n ARG 135 Ca 0.04 0.23 0.15 0.00 -1.93 0.00 0.00 57.85 56.34 1pfl n ARG 135 Cb 0.14 -1.67 0.75 0.00 -1.16 0.00 0.00 32.46 30.51 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 -3.33 0.42 0.15 5.56 5.12 -0.53 -2.74 116.66 121.31 1pfl n ARG 136 Ca -0.33 0.01 0.04 0.00 -1.93 0.00 0.00 57.85 55.63 1pfl n ARG 136 Cb 1.04 -1.50 0.04 0.00 -1.16 0.00 0.00 32.46 30.89 1pfl n ARG 136 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1pfl h SER 137 N 0.00 0.00 -0.57 0.55 4.64 0.68 -3.48 113.55 115.37 1pfl h SER 137 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1pfl h SER 137 Cb 0.28 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.33 1pfl h SER 137 CO 0.00 0.43 -0.14 1.67 -0.87 0.00 0.00 176.83 177.92 1pfl n GLN 138 N -3.20 -0.48 0.00 4.77 7.27 -1.11 -5.07 117.38 119.56 1pfl n GLN 138 Ca 0.02 0.56 0.15 0.00 0.07 0.00 0.00 57.00 57.81 1pfl n GLN 138 Cb 0.71 -4.37 0.82 0.00 2.41 0.00 0.00 30.24 29.81 1pfl n GLN 138 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79