#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 -1.79 0.30 0.00 0.00 -1.26 -4.96 105.19 97.48 1pfl n GLY 2 Ca 0.00 0.54 0.01 0.00 0.00 0.00 0.00 46.02 46.58 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 0.84 0.00 1.61 -0.00 -2.00 -0.50 115.95 115.91 1pfl h TRP 3 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.92 1pfl h TRP 3 Cb 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 29.16 28.90 1pfl h TRP 3 CO 0.00 0.38 0.00 -2.95 -0.00 0.00 0.00 178.44 175.87 1pfl h ASN 4 N 0.81 0.00 0.49 -3.49 -1.07 -1.92 -0.24 115.58 110.15 1pfl h ASN 4 Ca 0.37 0.00 -0.29 0.00 0.07 0.00 0.00 56.30 56.45 1pfl h ASN 4 Cb 0.28 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 36.54 1pfl h ASN 4 CO -0.22 0.00 -1.31 0.00 0.07 0.00 0.00 177.43 175.98 1pfl h ALA 5 N 2.02 0.02 0.00 4.14 0.00 -1.46 0.33 119.26 124.31 1pfl h ALA 5 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1pfl h ALA 5 Cb 0.09 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1pfl h ALA 5 CO 0.00 0.87 0.00 0.66 0.00 0.00 0.00 179.25 180.78 1pfl n TYR 6 N -3.61 0.36 0.01 0.00 4.01 -0.20 -0.40 117.16 117.33 1pfl n TYR 6 Ca -0.11 0.12 -0.03 0.00 -0.16 0.00 0.00 57.90 57.73 1pfl n TYR 6 Cb 1.04 -0.70 -0.10 0.00 -0.31 0.00 0.00 39.34 39.27 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 -1.81 1.28 0.33 -0.72 2.08 -0.64 -3.40 119.36 116.48 1pfl n ILE 7 Ca 0.04 -0.72 0.22 0.00 0.56 0.00 0.00 62.75 62.84 1pfl n ILE 7 Cb 0.27 -0.79 1.13 0.00 -0.75 0.00 0.00 39.64 39.50 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 0.06 4.38 3.32 0.25 -1.87 116.42 122.56 1pfl h ASP 8 Ca -0.21 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.86 1pfl h ASP 8 Cb 1.72 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 41.22 1pfl h ASP 8 CO 0.05 0.00 -0.48 -1.13 -1.72 0.00 0.00 179.24 175.97 1pfl h ASN 9 N 0.00 -1.45 -1.01 6.45 -1.24 -1.42 0.47 115.58 117.38 1pfl h ASN 9 Ca -0.00 0.16 0.22 0.00 0.71 0.00 0.00 56.30 57.40 1pfl h ASN 9 Cb 0.07 0.55 -0.12 0.00 0.73 0.00 0.00 38.32 39.55 1pfl h ASN 9 CO 0.00 -0.51 0.60 -0.07 -1.29 0.00 0.00 177.43 176.16 1pfl h LEU 10 N -0.67 0.72 0.07 0.34 -0.00 -1.55 0.59 115.31 114.81 1pfl h LEU 10 Ca 0.02 0.12 -0.26 0.00 -0.00 0.00 0.00 57.88 57.76 1pfl h LEU 10 Cb 0.71 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.36 1pfl h LEU 10 CO -0.31 0.17 -1.24 0.24 -0.00 0.00 0.00 178.44 177.31 1pfl h MET 11 N 0.65 0.15 -0.00 1.13 2.86 -1.27 -3.22 114.93 115.22 1pfl h MET 11 Ca 0.62 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 1pfl h MET 11 Cb 1.10 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.86 1pfl h MET 11 CO -0.44 1.08 -0.07 0.00 1.06 0.00 0.00 176.91 178.54 1pfl n ALA 12 N -2.49 2.71 0.99 6.32 0.00 0.15 -4.23 120.51 123.96 1pfl n ALA 12 Ca -0.07 -0.27 0.12 0.00 0.00 0.00 0.00 53.44 53.21 1pfl n ALA 12 Cb 1.00 -1.35 0.06 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.83 2.64 -2.53 0.00 5.68 0.17 -4.97 116.55 116.70 1pfl n ASP 13 Ca 0.17 -1.82 -0.15 0.00 -0.50 0.00 0.00 54.79 52.49 1pfl n ASP 13 Cb 0.25 0.17 -0.03 0.00 -1.14 0.00 0.00 41.12 40.38 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 1.36 -0.19 0.00 6.12 0.00 -1.26 -4.19 105.19 107.04 1pfl n GLY 14 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1pfl n GLY 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1pfl n THR 15 N -1.88 0.00 -0.73 2.61 -1.04 -1.26 -4.99 114.28 106.99 1pfl n THR 15 Ca 0.04 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.89 1pfl n THR 15 Cb 0.21 0.00 0.14 0.00 -1.82 0.00 0.00 70.33 68.86 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 -3.38 0.00 -4.55 0.00 0.00 -0.31 -3.99 117.38 105.15 1pfl n GLN 17 Ca 0.08 0.00 -0.27 0.00 -0.00 0.00 0.00 57.00 56.81 1pfl n GLN 17 Cb 0.32 -0.11 -0.08 0.00 0.00 0.00 0.00 30.24 30.37 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 -2.68 3.00 -0.29 1.69 2.15 -1.09 -4.94 116.67 114.52 1pfl s ASP 18 Ca 0.00 -1.70 -0.16 0.00 0.43 0.00 0.00 52.55 51.12 1pfl s ASP 18 Cb 0.00 0.55 0.16 0.00 -0.30 0.00 0.00 42.92 43.33 1pfl s ASP 18 CO 0.00 -0.95 1.04 0.00 -0.17 0.00 0.00 175.17 175.10 1pfl s ALA 19 N -3.16 -2.35 -0.18 3.66 0.00 -1.26 -0.43 121.76 118.04 1pfl s ALA 19 Ca 0.21 2.14 -0.04 0.00 0.00 0.00 0.00 51.96 54.27 1pfl s ALA 19 Cb 0.02 -1.76 0.09 0.00 0.00 0.00 0.00 23.12 21.46 1pfl s ALA 19 CO 0.13 -0.33 0.26 0.00 0.00 0.00 0.00 175.76 175.81 1pfl s ALA 20 N 1.23 -0.48 -0.19 0.00 0.00 -0.53 -1.49 121.76 120.30 1pfl s ALA 20 Ca -0.08 0.58 -0.23 0.00 0.00 0.00 0.00 51.96 52.22 1pfl s ALA 20 Cb -0.03 -1.26 -0.02 0.00 0.00 0.00 0.00 23.12 21.81 1pfl s ALA 20 CO -0.14 -1.01 0.74 0.42 0.00 0.00 0.00 175.76 175.77 1pfl s ILE 21 N 2.39 4.94 -0.18 0.00 1.01 -0.87 -0.85 121.20 127.64 1pfl s ILE 21 Ca 0.06 1.41 -0.00 0.00 0.00 0.00 0.00 60.65 62.12 1pfl s ILE 21 Cb -0.14 -4.04 0.05 0.00 0.01 0.00 0.00 42.46 38.33 1pfl s ILE 21 CO -0.11 0.05 -0.05 -0.69 0.00 0.00 0.00 174.94 174.14 1pfl s VAL 22 N 2.14 1.17 -0.96 2.92 1.01 -0.30 -0.63 120.40 125.75 1pfl s VAL 22 Ca 0.33 -0.75 -0.25 0.00 0.00 0.00 0.00 61.98 61.31 1pfl s VAL 22 Cb -0.16 -1.38 -0.12 0.00 0.00 0.00 0.00 36.38 34.72 1pfl s VAL 22 CO 0.11 0.07 2.11 -0.83 0.00 0.00 0.00 175.10 176.55 1pfl s GLY 23 N 1.59 -0.36 -0.13 4.51 0.00 0.11 -1.65 107.32 111.39 1pfl s GLY 23 Ca -0.01 -1.42 -0.00 0.00 0.00 0.00 0.00 44.72 43.29 1pfl s GLY 23 CO -0.07 3.87 1.75 1.58 0.00 0.00 0.00 173.10 180.23 1pfl n TYR 24 N 16.51 0.70 0.00 1.90 4.11 -1.26 -1.00 117.16 138.11 1pfl n TYR 24 Ca 0.43 -1.24 0.00 0.00 -0.00 0.00 0.00 57.90 57.09 1pfl n TYR 24 Cb 0.46 -0.61 0.00 0.00 -0.00 0.00 0.00 39.34 39.19 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 0.71 1.83 -0.24 -3.48 4.01 -1.26 -4.73 118.16 115.00 1pfl n LYS 25 Ca 0.14 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.82 1pfl n LYS 25 Cb 0.61 0.00 -0.09 0.00 -0.51 0.00 0.00 35.03 35.04 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 -1.90 -3.48 4.39 2.03 -2.00 -3.33 116.42 112.13 1pfl h ASP 26 Ca 0.00 0.27 -0.64 0.00 -0.73 0.00 0.00 57.03 55.93 1pfl h ASP 26 Cb 0.00 0.81 -0.21 0.00 -0.83 0.00 0.00 39.33 39.10 1pfl h ASP 26 CO 0.00 -0.34 -0.62 -0.94 -1.03 0.00 0.00 179.24 176.31 1pfl s SER 27 N -5.21 5.20 0.58 4.15 1.04 -1.26 -5.04 113.70 113.15 1pfl s SER 27 Ca -0.14 -0.12 -0.14 0.00 0.48 0.00 0.00 55.95 56.04 1pfl s SER 27 Cb 0.10 -1.91 -0.05 0.00 0.10 0.00 0.00 66.02 64.26 1pfl s SER 27 CO 0.63 0.06 1.02 -2.16 0.98 0.00 0.00 173.24 173.77 1pfl s PRO 28 N 1.04 3.61 0.18 4.02 0.04 -1.25 -4.73 135.00 137.91 1pfl s PRO 28 Ca 0.03 0.95 -0.19 0.00 0.04 0.00 0.00 61.00 61.83 1pfl s PRO 28 Cb -0.14 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.36 1pfl s PRO 28 CO 0.03 -0.55 0.54 -1.54 0.04 0.00 0.00 177.00 175.51 1pfl s SER 29 N -3.38 -0.35 -0.62 6.66 1.04 -0.17 -4.83 113.70 112.05 1pfl s SER 29 Ca 0.59 -0.31 -0.20 0.00 0.48 0.00 0.00 55.95 56.51 1pfl s SER 29 Cb -0.12 0.58 0.09 0.00 0.10 0.00 0.00 66.02 66.67 1pfl s SER 29 CO 0.41 -1.01 0.80 -0.69 0.98 0.00 0.00 173.24 173.72 1pfl s VAL 30 N -3.82 4.64 0.23 5.02 1.01 -1.26 0.07 120.40 126.29 1pfl s VAL 30 Ca 0.06 -0.77 0.22 0.00 0.00 0.00 0.00 61.98 61.49 1pfl s VAL 30 Cb -0.01 -4.56 0.20 0.00 0.00 0.00 0.00 36.38 32.02 1pfl s VAL 30 CO -0.07 -1.25 1.86 -0.50 0.00 0.00 0.00 175.10 175.14 1pfl h TRP 31 N 9.32 0.00 0.00 5.22 4.06 -1.19 -3.43 115.95 129.94 1pfl h TRP 31 Ca -0.29 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.66 1pfl h TRP 31 Cb 1.08 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.24 1pfl h TRP 31 CO 0.88 0.26 0.00 0.00 -3.56 0.00 0.00 178.44 176.02 1pfl n ALA 32 N -2.28 0.00 -3.01 1.49 0.00 -0.63 -4.95 120.51 111.13 1pfl n ALA 32 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 1pfl n ALA 32 Cb 0.41 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.69 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 2.22 -0.44 0.00 0.00 -1.26 -2.05 121.76 120.24 1pfl s ALA 33 Ca 0.00 -0.99 -0.37 0.00 0.00 0.00 0.00 51.96 50.60 1pfl s ALA 33 Cb 0.00 -0.80 -0.14 0.00 0.00 0.00 0.00 23.12 22.18 1pfl s ALA 33 CO 0.00 0.34 2.23 0.28 0.00 0.00 0.00 175.76 178.61 1pfl n VAL 34 N 3.27 0.11 -2.48 0.00 0.31 -0.56 -4.74 118.33 114.25 1pfl n VAL 34 Ca -0.18 -0.20 -0.36 0.00 -0.01 0.00 0.00 64.34 63.58 1pfl n VAL 34 Cb 0.53 -1.34 -0.03 0.00 -0.91 0.00 0.00 33.84 32.09 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 6.49 3.99 0.00 5.55 0.04 -1.26 -3.91 135.00 145.90 1pfl s PRO 35 Ca 1.14 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.70 1pfl s PRO 35 Cb -1.01 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1pfl s PRO 35 CO 0.52 -0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.67 1pfl n GLY 36 N 0.22 2.68 0.00 0.56 0.00 -1.26 -5.01 105.19 102.38 1pfl n GLY 36 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.32 0.00 0.00 1.61 4.76 -1.25 -5.09 118.16 116.86 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 -0.03 0.00 -0.33 -0.18 -1.04 -1.26 -4.97 114.28 106.47 1pfl n THR 38 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 1pfl n THR 38 Cb 0.00 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 68.60 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 1.11 -0.01 -1.42 -1.00 -1.88 -1.99 116.94 111.76 1pfl h PHE 39 Ca 0.00 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.81 1pfl h PHE 39 Cb 0.00 -0.37 -0.00 0.00 3.61 0.00 0.00 35.95 39.19 1pfl h PHE 39 CO 0.00 0.69 0.10 -0.24 -1.61 0.00 0.00 178.31 177.25 1pfl h VAL 40 N 1.19 0.03 -0.40 -0.55 3.04 -1.85 0.22 116.25 117.92 1pfl h VAL 40 Ca 0.33 0.00 -0.17 0.00 -1.01 0.00 0.00 66.70 65.85 1pfl h VAL 40 Cb -0.13 0.90 -0.10 0.00 -2.01 0.00 0.00 31.29 29.96 1pfl h VAL 40 CO -0.07 0.00 0.21 0.59 -1.01 0.00 0.00 177.57 177.29 1pfl n ASN 41 N -3.07 3.30 -4.69 3.17 5.03 -0.75 -4.76 115.26 113.50 1pfl n ASN 41 Ca -0.03 -2.65 -0.42 0.00 0.87 0.00 0.00 54.58 52.36 1pfl n ASN 41 Cb 0.16 -0.64 -0.03 0.00 -1.02 0.00 0.00 39.78 38.26 1pfl n ASN 41 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1pfl s ILE 42 N -1.60 4.25 0.54 2.41 1.01 0.77 -4.52 121.20 124.05 1pfl s ILE 42 Ca 0.26 1.57 0.04 0.00 0.00 0.00 0.00 60.65 62.52 1pfl s ILE 42 Cb 0.21 -4.01 0.04 0.00 0.01 0.00 0.00 42.46 38.71 1pfl s ILE 42 CO 0.06 -0.00 0.31 0.35 0.00 0.00 0.00 174.94 175.65 1pfl n THR 43 N 4.62 0.00 0.98 2.92 -2.24 -1.26 -4.67 114.28 114.63 1pfl n THR 43 Ca 0.11 -2.24 0.08 0.00 -2.27 0.00 0.00 64.05 59.73 1pfl n THR 43 Cb 0.46 0.10 0.47 0.00 -2.10 0.00 0.00 70.33 69.26 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 -1.66 0.49 -0.03 -0.78 -0.04 -1.26 -1.82 135.00 129.89 1pfl n PRO 44 Ca -0.07 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.39 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 2.98 0.00 -0.40 0.55 0.00 -1.96 0.37 119.26 120.81 1pfl h ALA 45 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1pfl h ALA 45 Cb 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1pfl h ALA 45 CO 0.00 0.08 0.22 1.05 0.00 0.00 0.00 179.25 180.60 1pfl h GLU 46 N -0.60 0.53 0.00 0.00 9.09 -1.77 0.90 114.58 122.74 1pfl h GLU 46 Ca 0.00 -0.04 -0.06 0.00 0.05 0.00 0.00 59.36 59.31 1pfl h GLU 46 Cb 0.08 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 27.06 1pfl h GLU 46 CO 0.00 0.39 -0.34 0.28 0.05 0.00 0.00 179.01 179.39 1pfl h VAL 47 N 0.54 0.44 -0.14 -1.06 2.07 -1.50 -2.63 116.25 113.98 1pfl h VAL 47 Ca 0.14 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 66.03 1pfl h VAL 47 Cb 0.00 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1pfl h VAL 47 CO -0.03 0.25 0.09 1.23 0.02 0.00 0.00 177.57 179.14 1pfl h GLY 48 N 3.74 0.20 0.21 2.17 0.00 0.23 -0.18 103.07 109.44 1pfl h GLY 48 Ca -0.01 -0.08 -0.36 0.00 0.00 0.00 0.00 47.33 46.88 1pfl h GLY 48 CO 0.03 0.07 -2.28 1.55 0.00 0.00 0.00 176.54 175.92 1pfl n VAL 49 N -4.51 1.50 0.30 4.60 3.14 -1.12 0.25 118.33 122.48 1pfl n VAL 49 Ca -0.01 -0.73 0.18 0.00 -2.96 0.00 0.00 64.34 60.82 1pfl n VAL 49 Cb 0.08 -0.99 0.88 0.00 -1.06 0.00 0.00 33.84 32.75 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 -1.26 -3.27 115.31 120.72 1pfl h LEU 50 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1pfl h LEU 50 Cb 2.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.83 1pfl h LEU 50 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.86 1pfl n VAL 51 N -2.88 0.00 -1.58 1.22 0.24 -0.10 -5.04 118.33 110.19 1pfl n VAL 51 Ca -0.01 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.89 1pfl n VAL 51 Cb 0.16 1.07 0.03 0.00 -1.47 0.00 0.00 33.84 33.63 1pfl n VAL 51 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pfl n GLY 52 N 0.00 -0.53 0.02 7.63 0.00 0.14 -4.83 105.19 107.62 1pfl n GLY 52 Ca 0.00 0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.18 0.02 -1.57 1.61 -0.00 -1.26 -4.80 118.16 111.98 1pfl n LYS 53 Ca 0.11 0.34 -0.52 0.00 -0.00 0.00 0.00 58.31 58.24 1pfl n LYS 53 Cb 0.43 -1.55 -0.06 0.00 -0.00 0.00 0.00 35.03 33.85 1pfl n LYS 53 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1pfl n ASP 54 N -1.59 1.28 -1.54 -5.58 -0.08 -1.26 -4.89 116.55 102.88 1pfl n ASP 54 Ca 0.02 1.13 -0.11 0.00 -1.51 0.00 0.00 54.79 54.33 1pfl n ASP 54 Cb 0.13 -1.15 0.09 0.00 2.34 0.00 0.00 41.12 42.52 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 2.17 2.63 0.00 -0.67 0.63 -1.26 -4.83 116.66 115.33 1pfl n ARG 55 Ca 0.18 -3.73 0.00 0.00 -0.92 0.00 0.00 57.85 53.37 1pfl n ARG 55 Cb 0.19 -1.91 0.00 0.00 0.45 0.00 0.00 32.46 31.19 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 -0.80 0.00 0.00 6.15 2.88 -1.26 -5.03 113.62 115.55 1pfl n SER 56 Ca 0.31 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 1pfl n SER 56 Cb 0.87 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.33 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 -0.51 0.00 0.12 -3.46 3.41 -1.26 -4.03 113.62 107.88 1pfl n SER 57 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 1pfl n SER 57 Cb 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.08 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 0.05 7.33 1.16 -1.26 -1.84 117.46 122.90 1pfl n PHE 58 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.59 1pfl n PHE 58 Cb 0.00 -0.08 0.03 0.00 -1.61 0.00 0.00 39.48 37.82 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 -2.49 0.00 0.00 2.97 4.01 -1.26 -1.40 117.16 119.00 1pfl n TYR 59 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 1pfl n TYR 59 Cb 1.03 -0.37 0.00 0.00 -0.31 0.00 0.00 39.34 39.69 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 -1.37 0.00 0.02 -0.72 0.24 -0.76 -4.74 118.33 111.00 1pfl n VAL 60 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.09 1pfl n VAL 60 Cb 0.01 -0.77 -0.14 0.00 -1.47 0.00 0.00 33.84 31.47 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 0.46 -3.65 -1.34 7.08 -1.65 -3.48 115.58 113.01 1pfl h ASN 61 Ca 0.00 -0.94 0.00 0.00 -3.08 0.00 0.00 56.30 52.28 1pfl h ASN 61 Cb 0.80 -0.15 0.00 0.00 -2.08 0.00 0.00 38.32 36.89 1pfl h ASN 61 CO 0.00 1.83 0.00 0.61 -2.08 0.00 0.00 177.43 177.79 1pfl n GLY 62 N 1.96 3.50 0.00 9.14 0.00 -0.49 -4.70 105.19 114.59 1pfl n GLY 62 Ca -0.30 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 0.23 -4.68 117.00 114.67 1pfl n LEU 63 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 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 -0.05 0.35 0.42 -1.33 0.00 0.00 177.39 176.78 1pfl s THR 64 N 0.00 -0.09 -0.23 -5.08 -4.23 -1.26 -2.37 115.64 102.38 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 0.07 0.00 1.34 0.00 0.00 72.50 72.91 1pfl s THR 64 CO 0.00 0.00 0.06 -1.48 -0.54 0.00 0.00 174.62 172.66 1pfl s LEU 65 N 1.75 1.42 -0.56 4.79 0.05 -0.86 -4.30 118.68 120.97 1pfl s LEU 65 Ca -0.10 -1.08 0.00 0.00 0.05 0.00 0.00 54.13 53.01 1pfl s LEU 65 Cb -0.06 -0.65 0.00 0.00 -2.05 0.00 0.00 46.19 43.43 1pfl s LEU 65 CO -0.20 -0.34 0.00 0.61 -0.55 0.00 0.00 176.35 175.87 1pfl n GLY 66 N 5.01 0.49 1.27 -3.48 0.00 -1.26 -2.44 105.19 104.78 1pfl n GLY 66 Ca -0.07 -0.72 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 -1.67 0.68 3.19 -0.02 0.00 -1.26 -4.84 105.19 101.27 1pfl n GLY 67 Ca -0.06 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.44 2.35 -0.06 1.61 2.00 -1.02 -5.06 119.66 119.04 1pfl s GLN 68 Ca 0.00 -1.46 -0.29 0.00 -2.00 0.00 0.00 55.36 51.61 1pfl s GLN 68 Cb 0.00 -3.46 -0.07 0.00 0.80 0.00 0.00 33.01 30.28 1pfl s GLN 68 CO 0.00 -0.83 2.04 0.21 -0.50 0.00 0.00 175.29 176.22 1pfl s LYS 69 N 1.27 3.79 0.27 1.67 2.20 -1.26 -2.03 119.74 125.64 1pfl s LYS 69 Ca 0.01 2.39 0.09 0.00 -0.36 0.00 0.00 55.97 58.10 1pfl s LYS 69 Cb -0.21 -4.23 -0.04 0.00 -1.51 0.00 0.00 37.83 31.83 1pfl s LYS 69 CO -0.01 -1.36 0.03 0.00 -0.36 0.00 0.00 175.35 173.65 1pfl s SER 71 N -3.71 4.32 -0.33 0.00 1.04 -0.21 0.76 113.70 115.58 1pfl s SER 71 Ca 0.32 -0.90 -0.37 0.00 0.48 0.00 0.00 55.95 55.48 1pfl s SER 71 Cb -0.06 -1.66 -0.13 0.00 0.10 0.00 0.00 66.02 64.27 1pfl s SER 71 CO 0.21 -0.13 2.07 0.52 0.98 0.00 0.00 173.24 176.88 1pfl n VAL 72 N 4.66 0.22 -3.41 5.02 0.31 -1.25 -1.91 118.33 121.96 1pfl n VAL 72 Ca -0.16 -0.18 -0.31 0.00 -0.01 0.00 0.00 64.34 63.68 1pfl n VAL 72 Cb 0.47 -1.45 -0.07 0.00 -0.91 0.00 0.00 33.84 31.88 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 6.44 2.91 0.00 2.52 5.41 0.36 -4.86 119.36 132.14 1pfl n ILE 73 Ca 0.38 -5.32 0.00 0.00 1.00 0.00 0.00 62.75 58.82 1pfl n ILE 73 Cb 0.18 -2.13 0.00 0.00 -0.71 0.00 0.00 39.64 36.98 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 1.16 0.00 -3.48 0.38 0.00 -1.26 -3.50 116.66 109.97 1pfl n ARG 74 Ca 0.28 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.70 1pfl n ARG 74 Cb 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.78 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 5.93 0.00 6.15 -1.08 -1.26 -1.57 116.67 124.83 1pfl s ASP 75 Ca 0.00 -2.08 0.00 0.00 -0.52 0.00 0.00 52.55 49.95 1pfl s ASP 75 Cb 0.00 -2.07 0.00 0.00 -1.46 0.00 0.00 42.92 39.39 1pfl s ASP 75 CO 0.00 -0.69 0.78 -0.24 0.52 0.00 0.00 175.17 175.54 1pfl n SER 76 N 4.73 1.49 -0.28 -0.34 2.88 -0.16 -4.79 113.62 117.16 1pfl n SER 76 Ca -0.05 -1.59 0.33 0.00 -1.33 0.00 0.00 58.87 56.23 1pfl n SER 76 Cb 0.41 0.00 0.60 0.00 -0.75 0.00 0.00 64.21 64.47 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 -8.92 2.46 6.46 -1.61 0.47 115.31 114.17 1pfl h LEU 77 Ca 0.00 0.00 -0.64 0.00 -0.12 0.00 0.00 57.88 57.12 1pfl h LEU 77 Cb 0.38 0.00 -0.17 0.00 -0.73 0.00 0.00 40.66 40.15 1pfl h LEU 77 CO 0.00 0.00 -0.49 -0.76 -0.62 0.00 0.00 178.44 176.57 1pfl s LEU 78 N -7.09 4.03 -0.30 2.25 1.43 -1.26 -4.31 118.68 113.43 1pfl s LEU 78 Ca -0.04 0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 52.98 1pfl s LEU 78 Cb 0.18 -2.15 -0.11 0.00 0.03 0.00 0.00 46.19 44.14 1pfl s LEU 78 CO 0.60 -0.05 1.28 0.00 0.23 0.00 0.00 176.35 178.41 1pfl n GLN 79 N 5.03 0.02 -1.02 1.70 -0.00 -1.26 -4.18 117.38 117.67 1pfl n GLN 79 Ca -0.14 -0.59 -0.07 0.00 -0.00 0.00 0.00 57.00 56.21 1pfl n GLN 79 Cb 0.52 -1.99 0.29 0.00 -0.00 0.00 0.00 30.24 29.06 1pfl n GLN 79 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1pfl n ASP 80 N 9.11 4.64 0.00 2.61 2.03 -1.26 -4.74 116.55 128.93 1pfl n ASP 80 Ca 0.17 -3.28 0.00 0.00 0.52 0.00 0.00 54.79 52.20 1pfl n ASP 80 Cb 0.43 -0.75 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 1pfl n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pfl n GLY 81 N -0.30 1.95 2.22 0.27 0.00 -1.26 -4.97 105.19 103.10 1pfl n GLY 81 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -1.04 0.00 -0.87 1.61 -0.58 -1.26 -5.01 120.64 113.49 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 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 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 -3.50 0.00 -3.89 -0.32 -1.74 0.16 -4.84 117.46 103.33 1pfl n PHE 83 Ca 0.00 0.00 -0.36 0.00 -0.56 0.00 0.00 57.45 56.53 1pfl n PHE 83 Cb 0.00 -1.86 -0.07 0.00 1.52 0.00 0.00 39.48 39.07 1pfl n PHE 83 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1pfl s SER 84 N -1.97 6.18 -0.06 5.98 1.04 -1.09 -1.61 113.70 122.16 1pfl s SER 84 Ca 0.00 0.34 -0.02 0.00 0.48 0.00 0.00 55.95 56.75 1pfl s SER 84 Cb 0.00 -2.02 0.03 0.00 0.10 0.00 0.00 66.02 64.14 1pfl s SER 84 CO 0.00 0.32 0.13 -0.32 0.98 0.00 0.00 173.24 174.35 1pfl s MET 85 N -0.52 0.08 0.05 4.02 1.75 -0.40 -0.98 119.30 123.29 1pfl s MET 85 Ca 0.12 0.33 -0.09 0.00 -1.25 0.00 0.00 55.69 54.80 1pfl s MET 85 Cb -0.12 -0.17 -0.05 0.00 2.84 0.00 0.00 34.83 37.33 1pfl s MET 85 CO 0.02 -0.15 0.35 -0.51 -0.65 0.00 0.00 175.02 174.08 1pfl s ASP 86 N 1.06 6.60 -0.22 1.11 1.11 -0.61 -0.63 116.67 125.09 1pfl s ASP 86 Ca -0.08 0.72 -0.06 0.00 0.18 0.00 0.00 52.55 53.31 1pfl s ASP 86 Cb -0.11 -2.15 0.11 0.00 1.07 0.00 0.00 42.92 41.84 1pfl s ASP 86 CO -0.05 0.21 0.42 -1.48 1.18 0.00 0.00 175.17 175.45 1pfl s LEU 87 N -1.79 -0.68 -0.06 1.23 -0.00 -0.78 0.13 118.68 116.73 1pfl s LEU 87 Ca 0.30 0.82 0.06 0.00 -0.00 0.00 0.00 54.13 55.32 1pfl s LEU 87 Cb -0.14 1.35 -0.01 0.00 -0.00 0.00 0.00 46.19 47.39 1pfl s LEU 87 CO 0.17 -0.25 -0.25 0.00 -0.00 0.00 0.00 176.35 176.02 1pfl s ARG 88 N 2.61 2.51 -0.70 1.48 1.70 -0.81 -2.06 118.95 123.70 1pfl s ARG 88 Ca 0.02 -0.90 -0.26 0.00 -0.47 0.00 0.00 55.73 54.13 1pfl s ARG 88 Cb -0.13 -2.14 -0.12 0.00 -0.57 0.00 0.00 34.95 31.99 1pfl s ARG 88 CO -0.14 0.39 2.42 0.25 -1.08 0.00 0.00 175.30 177.14 1pfl n THR 89 N 2.93 -0.03 -1.71 4.99 -2.24 0.17 -1.04 114.28 117.34 1pfl n THR 89 Ca -0.17 -0.60 -0.30 0.00 -2.27 0.00 0.00 64.05 60.71 1pfl n THR 89 Cb 0.52 -2.21 0.17 0.00 -2.10 0.00 0.00 70.33 66.71 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 8.68 0.65 0.44 -0.78 1.02 -1.26 -1.51 119.74 126.97 1pfl s LYS 90 Ca 0.96 -0.13 0.03 0.00 0.02 0.00 0.00 55.97 56.85 1pfl s LYS 90 Cb -0.18 -1.82 -0.03 0.00 -0.52 0.00 0.00 37.83 35.29 1pfl s LYS 90 CO 0.16 -2.45 0.07 0.45 -0.92 0.00 0.00 175.35 172.65 1pfl s SER 91 N -4.51 3.33 -0.22 2.83 0.15 -1.26 -4.78 113.70 109.23 1pfl s SER 91 Ca 0.69 -1.62 -0.16 0.00 0.70 0.00 0.00 55.95 55.57 1pfl s SER 91 Cb -0.08 0.39 -0.10 0.00 -1.71 0.00 0.00 66.02 64.52 1pfl s SER 91 CO 0.53 -0.84 -0.25 0.35 1.20 0.00 0.00 173.24 174.23 1pfl n THR 92 N -1.02 1.51 -3.15 6.45 -2.24 -1.26 -4.99 114.28 109.57 1pfl n THR 92 Ca -0.10 -0.10 0.06 0.00 -2.27 0.00 0.00 64.05 61.63 1pfl n THR 92 Cb 0.66 -2.11 -0.01 0.00 -2.10 0.00 0.00 70.33 66.77 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 -5.08 -0.60 0.00 3.38 0.00 -1.26 -4.92 107.32 98.84 1pfl s GLY 93 Ca -0.32 2.51 0.00 0.00 0.00 0.00 0.00 44.72 46.91 1pfl s GLY 93 CO 0.46 4.01 0.00 0.61 0.00 0.00 0.00 173.10 178.17 1pfl n GLY 94 N 5.28 2.27 3.76 0.20 0.00 -1.26 -5.04 105.19 110.40 1pfl n GLY 94 Ca 0.01 0.00 -0.29 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 -2.28 1.54 -0.13 4.61 0.00 -1.26 -5.03 121.76 119.21 1pfl s ALA 95 Ca 0.00 -0.65 -0.17 0.00 0.00 0.00 0.00 51.96 51.14 1pfl s ALA 95 Cb 0.00 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 1pfl s ALA 95 CO 0.00 -2.58 0.42 -1.25 0.00 0.00 0.00 175.76 172.34 1pfl s PRO 96 N -5.33 4.30 0.39 0.00 0.04 -1.26 -4.85 135.00 128.28 1pfl s PRO 96 Ca 0.66 0.34 0.08 0.00 0.04 0.00 0.00 61.00 62.12 1pfl s PRO 96 Cb -0.13 -3.42 -0.02 0.00 0.04 0.00 0.00 34.50 30.96 1pfl s PRO 96 CO 0.54 0.21 0.34 0.95 0.04 0.00 0.00 177.00 179.08 1pfl s THR 97 N 0.50 2.96 -0.10 1.26 -4.23 -1.26 -4.61 115.64 110.16 1pfl s THR 97 Ca 0.23 -1.37 -0.07 0.00 -1.18 0.00 0.00 61.69 59.31 1pfl s THR 97 Cb -0.14 -3.06 0.03 0.00 1.34 0.00 0.00 72.50 70.67 1pfl s THR 97 CO 0.08 -0.06 0.24 -0.36 -0.54 0.00 0.00 174.62 173.98 1pfl s PHE 98 N -2.42 -0.29 0.00 3.99 0.08 -0.57 -4.55 117.98 114.23 1pfl s PHE 98 Ca 0.45 0.70 0.04 0.00 0.12 0.00 0.00 56.93 58.24 1pfl s PHE 98 Cb -0.04 0.07 -0.03 0.00 -0.57 0.00 0.00 43.02 42.45 1pfl s PHE 98 CO 0.27 -0.18 -0.09 -0.80 -0.10 0.00 0.00 175.22 174.33 1pfl s ASN 99 N 0.67 4.45 0.15 1.36 0.01 -0.35 0.42 114.94 121.64 1pfl s ASN 99 Ca -0.04 -0.19 0.06 0.00 -0.71 0.00 0.00 52.86 51.97 1pfl s ASN 99 Cb -0.06 -0.99 -0.04 0.00 0.41 0.00 0.00 41.25 40.57 1pfl s ASN 99 CO -0.04 0.29 -0.12 -0.69 -1.51 0.00 0.00 177.10 175.02 1pfl s VAL 100 N -0.96 1.34 0.23 1.60 1.01 -0.87 -0.23 120.40 122.51 1pfl s VAL 100 Ca 0.16 -1.96 0.10 0.00 0.00 0.00 0.00 61.98 60.28 1pfl s VAL 100 Cb -0.11 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 1pfl s VAL 100 CO 0.06 -0.59 -0.18 -0.89 0.00 0.00 0.00 175.10 173.50 1pfl s THR 101 N -2.80 2.11 -0.21 3.92 2.01 -0.29 -1.87 115.64 118.51 1pfl s THR 101 Ca 0.15 -2.25 -0.04 0.00 0.31 0.00 0.00 61.69 59.85 1pfl s THR 101 Cb -0.01 -2.14 0.11 0.00 0.01 0.00 0.00 72.50 70.47 1pfl s THR 101 CO 0.03 -0.45 0.36 -0.69 -0.69 0.00 0.00 174.62 173.19 1pfl s VAL 102 N -2.57 -0.58 0.37 3.82 1.01 0.20 -1.12 120.40 121.52 1pfl s VAL 102 Ca 0.25 0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.34 1pfl s VAL 102 Cb -0.04 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 1pfl s VAL 102 CO 0.11 -0.04 0.46 0.42 0.00 0.00 0.00 175.10 176.05 1pfl s THR 103 N 2.54 3.54 0.01 3.92 -4.23 0.25 -1.28 115.64 120.39 1pfl s THR 103 Ca 0.07 -1.09 -0.02 0.00 -1.18 0.00 0.00 61.69 59.47 1pfl s THR 103 Cb -0.14 -3.21 -0.01 0.00 1.34 0.00 0.00 72.50 70.47 1pfl s THR 103 CO -0.14 -0.10 0.01 -0.75 -0.54 0.00 0.00 174.62 173.11 1pfl s LYS 104 N -4.19 0.28 0.00 3.99 2.47 -0.63 -1.62 119.74 120.03 1pfl s LYS 104 Ca 0.48 -0.42 0.00 0.00 -1.56 0.00 0.00 55.97 54.46 1pfl s LYS 104 Cb -0.08 0.11 0.00 0.00 -1.46 0.00 0.00 37.83 36.39 1pfl s LYS 104 CO 0.31 -0.05 0.00 0.25 0.16 0.00 0.00 175.35 176.01 1pfl n THR 105 N 1.90 0.00 -0.02 3.43 -2.24 -1.04 -4.78 114.28 111.52 1pfl n THR 105 Ca -0.21 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.59 1pfl n THR 105 Cb 0.56 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.65 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 0.23 -0.44 3.42 -0.08 -1.25 -4.64 116.55 113.79 1pfl n ASP 106 Ca 0.00 0.10 0.00 0.00 -1.51 0.00 0.00 54.79 53.38 1pfl n ASP 106 Cb 0.00 1.18 0.00 0.00 2.34 0.00 0.00 41.12 44.64 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 -2.58 0.00 -4.13 -0.67 5.02 0.21 -5.10 118.16 110.91 1pfl n LYS 107 Ca -0.15 -0.62 -0.15 0.00 -2.02 0.00 0.00 58.31 55.37 1pfl n LYS 107 Cb 0.82 -0.33 -0.12 0.00 -0.02 0.00 0.00 35.03 35.38 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 0.66 -0.53 -0.18 -4.23 -1.25 -4.22 115.64 105.89 1pfl s THR 108 Ca 0.00 -0.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.57 1pfl s THR 108 Cb 0.00 -0.67 0.14 0.00 1.34 0.00 0.00 72.50 73.31 1pfl s THR 108 CO 0.00 -0.22 0.30 -0.22 -0.54 0.00 0.00 174.62 173.94 1pfl s LEU 109 N -1.28 4.83 0.14 4.79 1.98 -0.66 -2.51 118.68 125.97 1pfl s LEU 109 Ca -0.05 -2.75 -0.21 0.00 -2.89 0.00 0.00 54.13 48.22 1pfl s LEU 109 Cb -0.08 -1.74 -0.07 0.00 0.66 0.00 0.00 46.19 44.95 1pfl s LEU 109 CO 0.01 -0.33 0.67 -0.69 -1.89 0.00 0.00 176.35 174.11 1pfl s VAL 110 N 0.08 4.59 0.09 1.68 1.01 -0.64 -1.14 120.40 126.06 1pfl s VAL 110 Ca 0.15 1.36 0.05 0.00 0.00 0.00 0.00 61.98 63.54 1pfl s VAL 110 Cb -0.23 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1pfl s VAL 110 CO -0.03 0.44 -0.12 -0.76 0.00 0.00 0.00 175.10 174.63 1pfl s LEU 111 N -1.39 2.34 -0.30 3.92 1.43 -0.03 -0.58 118.68 124.06 1pfl s LEU 111 Ca 0.35 -0.71 -0.03 0.00 -1.03 0.00 0.00 54.13 52.72 1pfl s LEU 111 Cb -0.20 -0.43 0.10 0.00 0.03 0.00 0.00 46.19 45.69 1pfl s LEU 111 CO 0.22 -0.15 0.12 -0.22 0.23 0.00 0.00 176.35 176.55 1pfl s LEU 112 N -2.08 1.15 0.34 1.79 2.96 -0.28 -1.45 118.68 121.12 1pfl s LEU 112 Ca 0.02 -1.44 -0.09 0.00 -0.22 0.00 0.00 54.13 52.40 1pfl s LEU 112 Cb -0.07 -0.53 -0.06 0.00 0.50 0.00 0.00 46.19 46.02 1pfl s LEU 112 CO 0.02 -0.43 0.67 -0.32 -1.32 0.00 0.00 176.35 174.97 1pfl s MET 113 N 1.90 3.75 0.02 1.98 -2.45 0.43 -1.13 119.30 123.80 1pfl s MET 113 Ca 0.10 0.30 -0.14 0.00 -1.25 0.00 0.00 55.69 54.70 1pfl s MET 113 Cb -0.17 -2.51 0.02 0.00 1.25 0.00 0.00 34.83 33.42 1pfl s MET 113 CO -0.32 0.11 0.29 0.20 1.05 0.00 0.00 175.02 176.35 1pfl s GLY 114 N -3.01 -0.11 0.26 2.11 0.00 0.68 -1.16 107.32 106.08 1pfl s GLY 114 Ca 0.48 0.08 0.05 0.00 0.00 0.00 0.00 44.72 45.33 1pfl s GLY 114 CO 0.29 -0.13 -0.03 0.54 0.00 0.00 0.00 173.10 173.77 1pfl s LYS 115 N -2.12 1.46 0.00 2.90 1.02 -1.16 -1.22 119.74 120.62 1pfl s LYS 115 Ca -0.08 -1.74 0.00 0.00 0.02 0.00 0.00 55.97 54.17 1pfl s LYS 115 Cb -0.02 -0.90 0.00 0.00 -0.52 0.00 0.00 37.83 36.38 1pfl s LYS 115 CO -0.01 -0.03 0.00 -1.91 -0.92 0.00 0.00 175.35 172.48 1pfl n GLU 116 N -0.51 0.00 -1.03 1.68 2.13 -1.26 -3.22 120.64 118.42 1pfl n GLU 116 Ca -0.05 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.76 1pfl n GLU 116 Cb 0.64 0.00 -0.00 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 0.45 3.28 8.31 0.00 -1.26 -4.91 105.19 111.06 1pfl n GLY 117 Ca 0.00 -0.15 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.84 4.91 0.14 1.61 0.11 -1.20 -4.81 120.40 119.32 1pfl s VAL 118 Ca 0.00 -1.68 -0.00 0.00 -2.93 0.00 0.00 61.98 57.36 1pfl s VAL 118 Cb 0.00 -4.16 -0.18 0.00 -1.53 0.00 0.00 36.38 30.51 1pfl s VAL 118 CO 0.00 -0.85 1.32 -0.74 -3.33 0.00 0.00 175.10 171.50 1pfl h HIS 119 N 8.65 0.40 0.00 1.54 2.76 -1.92 -3.45 115.15 123.12 1pfl h HIS 119 Ca -0.24 -0.23 0.00 0.00 -2.20 0.00 0.00 60.37 57.70 1pfl h HIS 119 Cb 1.08 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.00 1pfl h HIS 119 CO 0.72 1.07 0.00 0.41 -1.30 0.00 0.00 177.93 178.83 1pfl n GLY 120 N 1.00 1.49 0.11 5.26 0.00 -1.26 -4.91 105.19 106.88 1pfl n GLY 120 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 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 0.24 1.53 -0.02 0.00 -1.98 -2.41 103.07 100.43 1pfl h GLY 121 Ca 0.00 -0.62 -0.22 0.00 0.00 0.00 0.00 47.33 46.49 1pfl h GLY 121 CO 0.00 0.54 -0.89 1.41 0.00 0.00 0.00 176.54 177.60 1pfl h LEU 122 N 0.06 0.55 -0.68 3.11 -0.00 -1.99 -2.40 115.31 113.95 1pfl h LEU 122 Ca -0.28 -0.42 -0.08 0.00 -0.00 0.00 0.00 57.88 57.10 1pfl h LEU 122 Cb 2.02 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 42.48 1pfl h LEU 122 CO 0.13 1.21 0.13 0.40 -0.00 0.00 0.00 178.44 180.31 1pfl h ILE 123 N 0.26 1.26 -0.26 1.22 2.04 -1.97 0.86 117.51 120.92 1pfl h ILE 123 Ca -0.07 -1.02 0.05 0.00 1.00 0.00 0.00 64.86 64.82 1pfl h ILE 123 Cb 1.51 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1pfl h ILE 123 CO 0.16 0.39 0.18 -1.13 0.00 0.00 0.00 178.15 177.74 1pfl h ASN 124 N 1.05 0.11 0.61 1.72 -1.24 -1.21 0.31 115.58 116.92 1pfl h ASN 124 Ca 0.21 -0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.94 1pfl h ASN 124 Cb 0.42 -0.03 -0.00 0.00 0.73 0.00 0.00 38.32 39.44 1pfl h ASN 124 CO 0.01 0.08 -1.32 0.11 -1.29 0.00 0.00 177.43 175.02 1pfl h LYS 125 N 0.13 0.24 0.00 6.67 1.79 -0.59 -2.89 116.57 121.92 1pfl h LYS 125 Ca 0.12 -0.40 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1pfl h LYS 125 Cb 0.31 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1pfl h LYS 125 CO -0.02 1.15 -0.02 1.63 -1.08 0.00 0.00 179.45 181.12 1pfl n LYS 126 N -3.48 0.11 -0.02 3.15 4.01 0.13 -2.49 118.16 119.56 1pfl n LYS 126 Ca -0.10 0.09 -0.12 0.00 -0.51 0.00 0.00 58.31 57.66 1pfl n LYS 126 Cb 1.02 -1.62 -0.14 0.00 -0.51 0.00 0.00 35.03 33.78 1pfl n LYS 126 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1pfl h TYR 128 N 0.02 0.43 0.21 0.00 5.03 -1.40 -1.71 116.97 119.55 1pfl h TYR 128 Ca -0.34 -0.04 -0.33 0.00 2.58 0.00 0.00 58.73 60.60 1pfl h TYR 128 Cb 2.03 -0.12 0.02 0.00 1.55 0.00 0.00 36.73 40.21 1pfl h TYR 128 CO 0.02 0.46 -1.50 0.93 -1.32 0.00 0.00 178.16 176.74 1pfl h GLU 129 N 0.40 0.44 -0.87 1.82 5.08 -1.56 -0.06 114.58 119.84 1pfl h GLU 129 Ca 0.09 -0.75 0.06 0.00 -1.00 0.00 0.00 59.36 57.76 1pfl h GLU 129 Cb 0.32 0.28 -0.06 0.00 0.50 0.00 0.00 28.75 29.79 1pfl h GLU 129 CO 0.01 1.35 0.54 1.98 -1.00 0.00 0.00 179.01 181.89 1pfl h MET 130 N 0.12 0.96 0.00 2.33 4.05 -1.22 0.29 114.93 121.46 1pfl h MET 130 Ca -0.25 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.10 1pfl h MET 130 Cb 2.11 -0.22 -0.00 0.00 -0.80 0.00 0.00 31.60 32.69 1pfl h MET 130 CO 0.23 0.63 -0.25 0.00 0.23 0.00 0.00 176.91 177.76 1pfl h ALA 131 N 1.41 0.88 -0.43 0.39 0.00 -1.38 -3.13 119.26 117.00 1pfl h ALA 131 Ca 0.38 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.29 1pfl h ALA 131 Cb 0.16 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1pfl h ALA 131 CO -0.17 0.06 0.29 0.77 0.00 0.00 0.00 179.25 180.19 1pfl h SER 132 N 0.00 0.35 0.26 0.00 0.02 0.11 0.26 113.55 114.55 1pfl h SER 132 Ca -0.00 -0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 1pfl h SER 132 Cb 1.03 -0.08 0.02 0.00 0.14 0.00 0.00 62.40 63.52 1pfl h SER 132 CO 0.01 0.23 -1.58 -0.74 -1.14 0.00 0.00 176.83 173.61 1pfl h HIS 133 N 0.40 0.84 0.00 3.45 2.76 -1.49 -2.36 115.15 118.75 1pfl h HIS 133 Ca 0.18 -0.62 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 1pfl h HIS 133 Cb 0.21 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.14 1pfl h HIS 133 CO -0.00 1.59 0.00 1.28 -1.30 0.00 0.00 177.93 179.50 1pfl n LEU 134 N -3.65 0.45 0.04 0.26 4.32 -0.41 0.16 117.00 118.16 1pfl n LEU 134 Ca -0.19 0.67 -0.22 0.00 -0.02 0.00 0.00 56.01 56.24 1pfl n LEU 134 Cb 1.09 -0.67 -0.14 0.00 -1.62 0.00 0.00 43.42 42.07 1pfl n LEU 134 CO 0.57 -0.70 -0.68 0.03 -1.22 0.00 0.00 177.39 175.39 1pfl h ARG 135 N 0.00 0.33 0.00 3.23 2.47 -0.52 -3.20 114.38 116.69 1pfl h ARG 135 Ca 0.00 -0.56 0.00 0.00 -1.26 0.00 0.00 59.98 58.16 1pfl h ARG 135 Cb 0.13 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 1pfl h ARG 135 CO 0.00 1.27 0.00 0.54 0.56 0.00 0.00 179.97 182.34 1pfl n ARG 136 N -3.54 0.61 0.09 0.04 1.74 0.11 -2.68 116.66 113.03 1pfl n ARG 136 Ca -0.29 0.02 0.12 0.00 -0.77 0.00 0.00 57.85 56.93 1pfl n ARG 136 Cb 1.06 -1.50 0.16 0.00 -1.02 0.00 0.00 32.46 31.16 1pfl n ARG 136 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1pfl h SER 137 N 0.00 0.00 -1.36 0.55 4.64 0.15 -3.48 113.55 114.05 1pfl h SER 137 Ca 0.00 -0.13 -0.27 0.00 -0.47 0.00 0.00 61.79 60.92 1pfl h SER 137 Cb 0.14 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.18 1pfl h SER 137 CO 0.00 0.06 -0.31 0.00 -0.87 0.00 0.00 176.83 175.72 1pfl n GLN 138 N -2.34 -1.02 0.00 4.77 1.13 -1.09 -5.06 117.38 113.77 1pfl n GLN 138 Ca 0.03 0.80 0.12 0.00 -1.94 0.00 0.00 57.00 56.01 1pfl n GLN 138 Cb 0.47 -4.98 0.11 0.00 0.11 0.00 0.00 30.24 25.96 1pfl n GLN 138 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28