#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pav n GLY 2 N 0.00 -0.76 0.25 0.00 0.00 -1.26 -4.72 105.19 98.70 2pav n GLY 2 Ca 0.00 -1.56 0.14 0.00 0.00 0.00 0.00 46.02 44.60 2pav n GLY 2 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2pav h TRP 3 N -0.08 0.00 -0.28 1.61 4.06 -2.02 -2.47 115.95 116.76 2pav h TRP 3 Ca 0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 2pav h TRP 3 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 2pav h TRP 3 CO 0.00 0.12 0.12 -0.91 -3.56 0.00 0.00 178.44 174.21 2pav h ASN 4 N 0.00 0.34 -0.20 -3.49 2.35 -1.93 -1.98 115.58 110.68 2pav h ASN 4 Ca -0.00 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2pav h ASN 4 Cb 0.59 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 2pav h ASN 4 CO 0.02 0.31 0.12 0.00 -1.65 0.00 0.00 177.43 176.22 2pav h ALA 5 N 1.75 1.80 -0.76 -0.83 0.00 -1.72 -1.19 119.26 118.31 2pav h ALA 5 Ca 0.10 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2pav h ALA 5 Cb 0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2pav h ALA 5 CO -0.01 0.17 0.27 1.88 0.00 0.00 0.00 179.25 181.56 2pav h TYR 6 N 0.30 1.19 -0.23 0.00 -1.99 -1.50 -0.04 116.97 114.69 2pav h TYR 6 Ca 0.08 -0.10 -0.04 0.00 2.00 0.00 0.00 58.73 60.66 2pav h TYR 6 Cb 0.01 -0.35 -0.01 0.00 2.00 0.00 0.00 36.73 38.38 2pav h TYR 6 CO 0.00 0.91 -0.03 0.82 -0.00 0.00 0.00 178.16 179.86 2pav h ILE 7 N 1.12 1.27 -0.52 -2.88 1.08 -1.21 -0.85 117.51 115.53 2pav h ILE 7 Ca 0.25 -0.98 0.10 0.00 -0.39 0.00 0.00 64.86 63.84 2pav h ILE 7 Cb 0.26 1.46 -0.09 0.00 -3.07 0.00 0.00 36.82 35.38 2pav h ILE 7 CO -0.01 0.30 -0.02 0.44 -0.69 0.00 0.00 178.15 178.17 2pav h ASP 8 N 0.17 -0.25 -0.22 1.72 3.32 -1.12 -0.49 116.42 119.54 2pav h ASP 8 Ca 0.06 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 2pav h ASP 8 Cb 0.47 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 2pav h ASP 8 CO 0.02 -0.09 0.13 -1.13 -1.72 0.00 0.00 179.24 176.45 2pav h ASN 9 N 0.10 0.26 0.03 6.45 -0.73 -0.84 -2.17 115.58 118.67 2pav h ASN 9 Ca 0.26 -0.04 -0.08 0.00 1.87 0.00 0.00 56.30 58.31 2pav h ASN 9 Cb 0.40 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 38.92 2pav h ASN 9 CO -0.45 0.22 -0.22 -0.07 -0.37 0.00 0.00 177.43 176.54 2pav h LEU 10 N 0.27 0.33 -0.14 0.34 3.38 -0.64 -2.94 115.31 115.91 2pav h LEU 10 Ca 0.08 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2pav h LEU 10 Cb 0.01 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2pav h LEU 10 CO -0.01 0.56 -0.36 0.23 0.09 0.00 0.00 178.44 178.95 2pav n MET 11 N -4.17 0.26 -0.18 1.13 2.81 -0.24 -4.46 117.12 112.28 2pav n MET 11 Ca -0.01 -0.14 -0.03 0.00 -1.81 0.00 0.00 57.70 55.71 2pav n MET 11 Cb 0.36 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.44 2pav n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2pav h ALA 12 N 3.22 0.69 -0.01 3.04 0.00 -1.20 -2.48 119.26 122.52 2pav h ALA 12 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2pav h ALA 12 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2pav h ALA 12 CO 0.00 -0.11 0.00 -0.40 0.00 0.00 0.00 179.25 178.74 2pav n ASP 13 N -4.90 0.15 0.00 0.00 5.68 -1.26 -4.88 116.55 111.34 2pav n ASP 13 Ca 0.06 -1.25 0.00 0.00 -0.50 0.00 0.00 54.79 53.10 2pav n ASP 13 Cb 0.17 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 2pav n ASP 13 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2pav n GLY 14 N 0.92 1.42 0.17 6.12 0.00 -0.94 -4.89 105.19 107.99 2pav n GLY 14 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 2pav n GLY 14 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2pav h THR 15 N 0.00 0.00 -3.35 2.61 1.35 -1.90 -3.46 112.91 108.16 2pav h THR 15 Ca 0.00 -0.91 -0.66 0.00 -0.55 0.00 0.00 66.41 64.29 2pav h THR 15 Cb 0.00 1.73 -0.13 0.00 -1.73 0.00 0.00 68.15 68.01 2pav h THR 15 CO 0.00 0.00 -0.64 0.00 -0.25 0.00 0.00 175.52 174.63 2pav n GLN 17 N 1.33 0.50 -3.72 0.00 10.64 0.27 -4.70 117.38 121.70 2pav n GLN 17 Ca -0.14 -0.11 -0.13 0.00 -1.83 0.00 0.00 57.00 54.79 2pav n GLN 17 Cb 0.53 -1.56 -0.08 0.00 -0.86 0.00 0.00 30.24 28.27 2pav n GLN 17 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2pav s ASP 18 N -4.29 -0.24 -0.11 2.61 -1.08 -1.15 -5.00 116.67 107.42 2pav s ASP 18 Ca -0.03 0.09 -0.29 0.00 -0.52 0.00 0.00 52.55 51.79 2pav s ASP 18 Cb 0.14 0.36 0.07 0.00 -1.46 0.00 0.00 42.92 42.03 2pav s ASP 18 CO 0.88 -0.52 0.69 0.00 0.52 0.00 0.00 175.17 176.73 2pav s ALA 19 N -1.68 -1.77 -0.02 3.66 0.00 -1.26 -1.18 121.76 119.51 2pav s ALA 19 Ca -0.11 1.52 -0.24 0.00 0.00 0.00 0.00 51.96 53.13 2pav s ALA 19 Cb -0.03 -0.34 0.05 0.00 0.00 0.00 0.00 23.12 22.80 2pav s ALA 19 CO 0.03 -0.36 0.53 0.00 0.00 0.00 0.00 175.76 175.96 2pav s ALA 20 N -0.74 -1.37 -0.16 0.00 0.00 -0.38 -2.12 121.76 116.99 2pav s ALA 20 Ca -0.08 0.88 0.02 0.00 0.00 0.00 0.00 51.96 52.77 2pav s ALA 20 Cb -0.01 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.20 2pav s ALA 20 CO 0.07 -0.35 -0.20 0.42 0.00 0.00 0.00 175.76 175.70 2pav s ILE 21 N -1.43 2.20 -0.12 0.00 -1.09 0.06 -1.08 121.20 119.74 2pav s ILE 21 Ca -0.11 -0.92 0.01 0.00 -2.23 0.00 0.00 60.65 57.40 2pav s ILE 21 Cb -0.02 -1.90 0.02 0.00 -1.58 0.00 0.00 42.46 38.98 2pav s ILE 21 CO 0.06 0.54 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.47 2pav s VAL 22 N 0.97 1.54 -0.02 2.92 1.01 -0.10 -0.23 120.40 126.49 2pav s VAL 22 Ca -0.03 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 2pav s VAL 22 Cb -0.15 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 2pav s VAL 22 CO -0.05 0.45 1.11 -0.83 0.00 0.00 0.00 175.10 175.78 2pav s GLY 23 N 1.11 2.44 0.00 4.51 0.00 -0.41 0.04 107.32 115.01 2pav s GLY 23 Ca -0.04 0.62 0.13 0.00 0.00 0.00 0.00 44.72 45.43 2pav s GLY 23 CO -0.04 1.98 0.64 1.58 0.00 0.00 0.00 173.10 177.26 2pav n TYR 24 N 4.48 0.00 -2.99 1.90 4.11 -1.08 -2.11 117.16 121.47 2pav n TYR 24 Ca 0.09 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.66 2pav n TYR 24 Cb 0.48 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.75 2pav n TYR 24 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 2pav s LYS 25 N -2.04 4.10 7.90 -3.48 -0.14 -1.26 -4.62 119.74 120.20 2pav s LYS 25 Ca 0.07 0.88 0.00 0.00 -1.36 0.00 0.00 55.97 55.56 2pav s LYS 25 Cb 0.10 -2.31 0.00 0.00 -1.68 0.00 0.00 37.83 33.94 2pav s LYS 25 CO 0.47 0.07 0.00 -0.25 -0.76 0.00 0.00 175.35 174.87 2pav n ASP 26 N -0.51 0.00 -4.48 2.83 8.00 -1.26 -3.98 116.55 117.16 2pav n ASP 26 Ca 0.05 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.12 2pav n ASP 26 Cb 0.54 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.58 2pav n ASP 26 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2pav s SER 27 N -4.00 6.27 0.60 -2.24 0.01 -1.26 -5.03 113.70 108.05 2pav s SER 27 Ca 0.00 -0.67 -0.19 0.00 1.31 0.00 0.00 55.95 56.39 2pav s SER 27 Cb 0.00 -2.36 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 2pav s SER 27 CO 0.00 -1.08 1.28 -2.84 0.41 0.00 0.00 173.24 171.00 2pav s PRO 28 N 3.32 2.87 0.07 12.44 0.02 -1.26 -4.92 135.00 147.55 2pav s PRO 28 Ca 0.22 2.02 -0.22 0.00 0.02 0.00 0.00 61.00 63.04 2pav s PRO 28 Cb -0.16 -1.99 0.05 0.00 0.02 0.00 0.00 34.50 32.42 2pav s PRO 28 CO 0.15 -1.33 0.53 -1.54 -0.33 0.00 0.00 177.00 174.48 2pav s SER 29 N -1.35 -0.46 -0.02 2.53 1.04 -0.89 -4.73 113.70 109.81 2pav s SER 29 Ca 0.78 0.13 -0.30 0.00 0.48 0.00 0.00 55.95 57.04 2pav s SER 29 Cb -0.36 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.23 2pav s SER 29 CO 0.39 -0.77 1.28 0.68 0.98 0.00 0.00 173.24 175.80 2pav s VAL 30 N -2.73 4.02 0.01 5.02 -7.23 -1.26 -1.29 120.40 116.93 2pav s VAL 30 Ca -0.04 1.38 -0.06 0.00 -1.81 0.00 0.00 61.98 61.45 2pav s VAL 30 Cb -0.00 -3.88 -0.29 0.00 0.56 0.00 0.00 36.38 32.76 2pav s VAL 30 CO -0.04 0.01 0.90 -0.50 -0.31 0.00 0.00 175.10 175.16 2pav h TRP 31 N 7.54 0.57 -1.78 2.82 4.06 -0.96 -3.48 115.95 124.71 2pav h TRP 31 Ca -0.36 -0.41 0.01 0.00 2.06 0.00 0.00 58.89 60.18 2pav h TRP 31 Cb 1.17 -0.02 -0.21 0.00 -1.00 0.00 0.00 29.16 29.10 2pav h TRP 31 CO 0.73 1.43 0.36 0.00 -3.56 0.00 0.00 178.44 177.40 2pav s ALA 32 N -2.62 -1.85 0.11 1.49 0.00 -1.02 -4.78 121.76 113.09 2pav s ALA 32 Ca -0.09 1.46 -0.25 0.00 0.00 0.00 0.00 51.96 53.08 2pav s ALA 32 Cb 0.06 -0.36 0.08 0.00 0.00 0.00 0.00 23.12 22.90 2pav s ALA 32 CO 0.87 -0.34 0.72 0.00 0.00 0.00 0.00 175.76 177.02 2pav s ALA 33 N -1.14 -1.65 0.08 0.00 0.00 -1.26 -0.76 121.76 117.03 2pav s ALA 33 Ca -0.06 0.59 -0.31 0.00 0.00 0.00 0.00 51.96 52.18 2pav s ALA 33 Cb -0.00 0.71 -0.09 0.00 0.00 0.00 0.00 23.12 23.74 2pav s ALA 33 CO 0.06 -0.78 1.74 0.08 0.00 0.00 0.00 175.76 176.87 2pav s VAL 34 N -3.53 2.91 0.37 0.00 1.01 -0.90 -4.94 120.40 115.32 2pav s VAL 34 Ca 0.04 0.31 -0.28 0.00 0.00 0.00 0.00 61.98 62.04 2pav s VAL 34 Cb -0.01 -3.20 -0.11 0.00 0.00 0.00 0.00 36.38 33.06 2pav s VAL 34 CO -0.09 -0.01 1.46 -2.84 0.00 0.00 0.00 175.10 173.62 2pav s PRO 35 N 2.96 4.12 -0.01 2.72 0.02 -1.26 -3.40 135.00 140.15 2pav s PRO 35 Ca 0.78 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.32 2pav s PRO 35 Cb -0.42 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.13 2pav s PRO 35 CO 0.34 -0.50 0.00 0.41 -0.33 0.00 0.00 177.00 176.92 2pav n GLY 36 N 0.50 0.46 0.00 0.52 0.00 -1.26 -4.98 105.19 100.43 2pav n GLY 36 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2pav n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pav n LYS 37 N -2.96 1.99 -0.08 1.61 4.76 -1.22 -5.10 118.16 117.16 2pav n LYS 37 Ca -0.00 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.27 2pav n LYS 37 Cb 0.01 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.14 2pav n LYS 37 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2pav n THR 38 N 0.00 1.02 0.25 -0.18 -1.04 -1.26 -4.61 114.28 108.46 2pav n THR 38 Ca 0.00 -0.17 0.09 0.00 -2.04 0.00 0.00 64.05 61.93 2pav n THR 38 Cb 0.00 -1.79 0.65 0.00 -1.82 0.00 0.00 70.33 67.37 2pav n THR 38 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 2pav h PHE 39 N -0.62 0.00 -0.13 -1.42 0.04 -1.90 -0.74 116.94 112.17 2pav h PHE 39 Ca -0.38 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.43 2pav h PHE 39 Cb 1.27 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.42 2pav h PHE 39 CO -0.09 0.12 0.19 -0.24 -0.60 0.00 0.00 178.31 177.70 2pav h VAL 40 N 0.00 0.33 -0.71 -0.55 3.04 -1.81 -1.82 116.25 114.73 2pav h VAL 40 Ca -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2pav h VAL 40 Cb 0.25 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 30.37 2pav h VAL 40 CO 0.02 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.17 2pav n ASN 41 N -3.56 3.90 -4.78 3.17 5.03 -0.28 -4.91 115.26 113.83 2pav n ASN 41 Ca 0.00 -2.04 -0.41 0.00 0.87 0.00 0.00 54.58 53.01 2pav n ASN 41 Cb 0.30 -0.49 -0.00 0.00 -1.02 0.00 0.00 39.78 38.57 2pav n ASN 41 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 2pav s ILE 42 N -1.12 2.16 0.21 2.41 -5.25 -0.69 -4.37 121.20 114.56 2pav s ILE 42 Ca 0.48 0.16 0.06 0.00 -0.99 0.00 0.00 60.65 60.36 2pav s ILE 42 Cb 0.26 -3.10 -0.04 0.00 2.95 0.00 0.00 42.46 42.53 2pav s ILE 42 CO 0.32 0.04 0.22 0.42 -1.79 0.00 0.00 174.94 174.14 2pav s THR 43 N -1.10 4.70 0.29 8.37 -4.23 -1.26 -4.81 115.64 117.60 2pav s THR 43 Ca 0.52 -1.15 0.04 0.00 -1.18 0.00 0.00 61.69 59.92 2pav s THR 43 Cb -0.45 -3.49 0.28 0.00 1.34 0.00 0.00 72.50 70.18 2pav s THR 43 CO 0.61 -0.24 1.76 -0.65 -0.54 0.00 0.00 174.62 175.56 2pav h PRO 44 N 1.79 0.67 -0.55 3.99 0.11 -1.95 -1.32 132.00 134.75 2pav h PRO 44 Ca -0.49 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.62 2pav h PRO 44 Cb 1.22 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 2pav h PRO 44 CO 0.62 0.44 0.30 0.00 -0.21 0.00 0.00 178.00 179.16 2pav h ALA 45 N 1.63 0.71 -0.55 -0.75 0.00 -1.99 -0.92 119.26 117.39 2pav h ALA 45 Ca 0.55 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.38 2pav h ALA 45 Cb 0.86 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2pav h ALA 45 CO -0.40 -0.02 0.00 0.93 0.00 0.00 0.00 179.25 179.77 2pav h GLU 46 N 0.59 0.93 -0.91 0.00 5.08 -1.67 -2.10 114.58 116.50 2pav h GLU 46 Ca 0.23 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2pav h GLU 46 Cb 0.10 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 2pav h GLU 46 CO -0.14 0.92 0.60 0.28 -1.00 0.00 0.00 179.01 179.68 2pav h VAL 47 N 0.86 1.23 -0.57 3.13 2.07 -0.94 -2.58 116.25 119.45 2pav h VAL 47 Ca 0.16 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 2pav h VAL 47 Cb 0.50 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 2pav h VAL 47 CO 0.02 0.22 0.23 1.23 0.02 0.00 0.00 177.57 179.30 2pav h GLY 48 N 1.23 0.89 0.99 2.17 0.00 -0.49 -1.93 103.07 105.93 2pav h GLY 48 Ca 0.33 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2pav h GLY 48 CO -0.07 0.42 0.16 -2.08 0.00 0.00 0.00 176.54 174.97 2pav h VAL 49 N 0.82 1.07 -0.45 4.60 2.07 -1.36 0.36 116.25 123.35 2pav h VAL 49 Ca 0.20 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.59 2pav h VAL 49 Cb 0.16 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2pav h VAL 49 CO -0.02 0.07 0.29 -0.07 0.02 0.00 0.00 177.57 177.86 2pav h LEU 50 N 0.32 0.49 -1.48 2.57 3.38 -0.97 -3.15 115.31 116.48 2pav h LEU 50 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2pav h LEU 50 Cb -0.02 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2pav h LEU 50 CO -0.02 0.36 -0.20 1.33 0.09 0.00 0.00 178.44 180.00 2pav n VAL 51 N -4.79 0.00 -1.51 1.22 0.24 -0.80 -5.01 118.33 107.68 2pav n VAL 51 Ca 0.02 -0.40 -0.29 0.00 -2.04 0.00 0.00 64.34 61.62 2pav n VAL 51 Cb 0.03 1.37 0.16 0.00 -1.47 0.00 0.00 33.84 33.94 2pav n VAL 51 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2pav s GLY 52 N -2.09 1.61 0.28 7.63 0.00 0.11 -4.97 107.32 109.89 2pav s GLY 52 Ca 0.22 -0.72 -0.01 0.00 0.00 0.00 0.00 44.72 44.21 2pav s GLY 52 CO 0.39 -0.06 1.81 1.70 0.00 0.00 0.00 173.10 176.94 2pav h LYS 53 N -1.74 0.82 -6.46 2.90 3.64 -1.91 -3.41 116.57 110.42 2pav h LYS 53 Ca -0.48 -0.18 -0.56 0.00 -1.27 0.00 0.00 60.65 58.16 2pav h LYS 53 Cb 1.31 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 2pav h LYS 53 CO 0.52 0.76 1.10 0.34 -2.27 0.00 0.00 179.45 179.91 2pav s ASP 54 N -6.60 6.20 -0.23 4.20 -1.08 -1.26 -4.87 116.67 113.04 2pav s ASP 54 Ca -0.10 0.67 0.14 0.00 -0.52 0.00 0.00 52.55 52.74 2pav s ASP 54 Cb 0.15 -2.54 0.70 0.00 -1.46 0.00 0.00 42.92 39.77 2pav s ASP 54 CO 0.80 -1.57 1.63 0.54 0.52 0.00 0.00 175.17 177.09 2pav n ARG 55 N 8.32 3.93 0.00 4.34 5.12 -1.26 -4.58 116.66 132.53 2pav n ARG 55 Ca 0.16 -3.05 0.00 0.00 -1.93 0.00 0.00 57.85 53.03 2pav n ARG 55 Cb 0.48 -2.10 0.00 0.00 -1.16 0.00 0.00 32.46 29.69 2pav n ARG 55 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2pav n SER 56 N 0.04 3.00 0.21 0.55 3.41 -1.26 -4.82 113.62 114.74 2pav n SER 56 Ca 0.28 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.94 2pav n SER 56 Cb 1.11 0.31 0.47 0.00 -0.26 0.00 0.00 64.21 65.85 2pav n SER 56 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2pav h SER 57 N 0.00 0.00 0.32 4.04 0.02 -2.00 -1.86 113.55 114.07 2pav h SER 57 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2pav h SER 57 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2pav h SER 57 CO 0.00 0.27 0.00 2.22 -1.14 0.00 0.00 176.83 178.18 2pav n PHE 58 N -4.00 0.00 0.17 3.45 1.16 -1.26 -1.11 117.46 115.87 2pav n PHE 58 Ca -0.02 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.67 2pav n PHE 58 Cb 0.34 -0.29 0.10 0.00 -1.61 0.00 0.00 39.48 38.02 2pav n PHE 58 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 2pav h TYR 59 N 0.00 0.00 -0.62 2.97 0.05 -1.63 -1.07 116.97 116.68 2pav h TYR 59 Ca 0.00 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.83 2pav h TYR 59 Cb 0.16 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.86 2pav h TYR 59 CO 0.00 0.07 0.41 0.28 -1.05 0.00 0.00 178.16 177.87 2pav h VAL 60 N 0.00 1.03 0.00 -2.88 2.07 -1.25 -3.40 116.25 111.82 2pav h VAL 60 Ca -0.01 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2pav h VAL 60 Cb 1.06 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2pav h VAL 60 CO 0.01 0.12 0.00 -3.20 0.02 0.00 0.00 177.57 174.52 2pav n ASN 61 N -4.47 0.00 0.00 0.57 5.15 -1.26 -5.19 115.26 110.05 2pav n ASN 61 Ca 0.08 -0.28 0.00 0.00 -0.60 0.00 0.00 54.58 53.78 2pav n ASN 61 Cb 0.20 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.45 2pav n ASN 61 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2pav n GLY 62 N 0.00 -1.34 3.46 8.20 0.00 -0.40 -4.97 105.19 110.13 2pav n GLY 62 Ca 0.00 -2.09 -0.13 0.00 0.00 0.00 0.00 46.02 43.80 2pav n GLY 62 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2pav s LEU 63 N 0.00 0.87 0.12 0.99 0.05 -0.78 -4.63 118.68 115.30 2pav s LEU 63 Ca 0.00 -1.32 0.10 0.00 0.05 0.00 0.00 54.13 52.96 2pav s LEU 63 Cb 0.00 1.31 -0.04 0.00 -2.05 0.00 0.00 46.19 45.41 2pav s LEU 63 CO 0.00 -1.15 -0.24 0.42 -0.55 0.00 0.00 176.35 174.83 2pav s THR 64 N -3.56 2.02 -0.20 5.48 -4.23 -1.26 -0.95 115.64 112.93 2pav s THR 64 Ca 0.30 -1.69 -0.01 0.00 -1.18 0.00 0.00 61.69 59.11 2pav s THR 64 Cb 0.01 -1.82 0.06 0.00 1.34 0.00 0.00 72.50 72.09 2pav s THR 64 CO 0.16 -0.00 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.47 2pav s LEU 65 N -2.06 1.70 -1.45 4.79 1.43 -0.21 -4.74 118.68 118.14 2pav s LEU 65 Ca 0.11 -0.90 -0.10 0.00 -1.03 0.00 0.00 54.13 52.21 2pav s LEU 65 Cb -0.10 -0.84 0.06 0.00 0.03 0.00 0.00 46.19 45.35 2pav s LEU 65 CO 0.06 -0.26 0.76 0.61 0.23 0.00 0.00 176.35 177.74 2pav n GLY 66 N 4.90 -0.50 1.62 -3.19 0.00 -1.26 -1.50 105.19 105.25 2pav n GLY 66 Ca -0.10 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2pav n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pav n GLY 67 N -1.51 2.80 3.66 -0.02 0.00 -1.26 -4.84 105.19 104.03 2pav n GLY 67 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2pav n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pav s GLN 68 N -0.57 4.26 0.15 1.61 2.00 -0.56 -4.97 119.66 121.58 2pav s GLN 68 Ca 0.00 1.56 -0.31 0.00 -2.00 0.00 0.00 55.36 54.61 2pav s GLN 68 Cb 0.00 -3.70 -0.10 0.00 0.80 0.00 0.00 33.01 30.01 2pav s GLN 68 CO 0.00 -0.65 1.53 0.15 -0.50 0.00 0.00 175.29 175.83 2pav s LYS 69 N 3.24 4.24 0.09 1.67 1.02 -1.26 -1.04 119.74 127.68 2pav s LYS 69 Ca 0.51 2.30 0.03 0.00 0.02 0.00 0.00 55.97 58.84 2pav s LYS 69 Cb -0.20 -3.17 -0.03 0.00 -0.52 0.00 0.00 37.83 33.90 2pav s LYS 69 CO 0.13 -0.57 -0.09 0.00 -0.92 0.00 0.00 175.35 173.89 2pav s SER 71 N -2.34 5.05 -0.13 0.00 0.01 0.52 -1.87 113.70 114.93 2pav s SER 71 Ca 0.03 -0.02 -0.25 0.00 1.31 0.00 0.00 55.95 57.02 2pav s SER 71 Cb -0.03 -1.30 -0.02 0.00 0.21 0.00 0.00 66.02 64.87 2pav s SER 71 CO -0.00 0.29 0.81 -0.69 0.41 0.00 0.00 173.24 174.05 2pav s VAL 72 N -1.06 4.92 -0.19 3.43 1.01 -1.26 -1.27 120.40 125.98 2pav s VAL 72 Ca 0.19 1.61 -0.15 0.00 0.00 0.00 0.00 61.98 63.63 2pav s VAL 72 Cb -0.11 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.05 2pav s VAL 72 CO 0.09 0.09 -0.15 -0.38 0.00 0.00 0.00 175.10 174.75 2pav n ILE 73 N 4.45 1.48 -4.51 2.22 2.08 0.48 -4.96 119.36 120.60 2pav n ILE 73 Ca 0.03 0.05 -0.21 0.00 0.56 0.00 0.00 62.75 63.18 2pav n ILE 73 Cb 0.50 -2.22 -0.15 0.00 -0.75 0.00 0.00 39.64 37.01 2pav n ILE 73 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 2pav s ARG 74 N -2.46 1.01 -0.31 0.38 0.52 -0.85 -4.98 118.95 112.25 2pav s ARG 74 Ca -0.25 -0.40 0.02 0.00 -0.52 0.00 0.00 55.73 54.58 2pav s ARG 74 Cb 0.05 -0.96 0.09 0.00 0.52 0.00 0.00 34.95 34.66 2pav s ARG 74 CO 0.40 0.22 0.03 0.34 0.02 0.00 0.00 175.30 176.30 2pav s ASP 75 N -0.14 4.46 -0.15 0.23 2.15 -1.26 -0.74 116.67 121.23 2pav s ASP 75 Ca 0.02 -1.84 0.14 0.00 0.43 0.00 0.00 52.55 51.31 2pav s ASP 75 Cb -0.06 -1.41 0.36 0.00 -0.30 0.00 0.00 42.92 41.51 2pav s ASP 75 CO -0.00 -0.35 1.18 -1.20 -0.17 0.00 0.00 175.17 174.63 2pav n SER 76 N 4.45 1.68 0.13 -0.34 7.64 0.53 -4.89 113.62 122.81 2pav n SER 76 Ca -0.01 -3.32 0.04 0.00 1.01 0.00 0.00 58.87 56.58 2pav n SER 76 Cb 0.42 -0.45 0.45 0.00 -1.01 0.00 0.00 64.21 63.62 2pav n SER 76 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2pav h LEU 77 N 0.67 0.21 -2.92 -3.43 5.85 -1.59 -2.30 115.31 111.80 2pav h LEU 77 Ca -0.03 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2pav h LEU 77 Cb 1.14 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.12 2pav h LEU 77 CO 0.01 0.29 0.00 0.18 -0.34 0.00 0.00 178.44 178.59 2pav n LEU 78 N -4.36 4.23 -4.70 2.25 4.77 -1.26 -4.27 117.00 113.65 2pav n LEU 78 Ca -0.01 -2.19 -0.35 0.00 -0.03 0.00 0.00 56.01 53.43 2pav n LEU 78 Cb 0.20 -0.51 -0.09 0.00 -2.33 0.00 0.00 43.42 40.69 2pav n LEU 78 CO 0.37 0.90 -0.22 -1.10 -1.33 0.00 0.00 177.39 176.01 2pav s GLN 79 N -1.36 4.00 0.30 3.23 -1.52 -0.90 -4.99 119.66 118.43 2pav s GLN 79 Ca 0.48 -0.27 -0.29 0.00 -1.95 0.00 0.00 55.36 53.33 2pav s GLN 79 Cb 0.28 -3.29 -0.10 0.00 -0.22 0.00 0.00 33.01 29.68 2pav s GLN 79 CO 0.29 0.34 1.37 0.34 -0.25 0.00 0.00 175.29 177.37 2pav s ASP 80 N 0.21 6.70 0.00 5.90 2.15 -1.26 -1.18 116.67 129.19 2pav s ASP 80 Ca 0.06 2.71 0.00 0.00 0.43 0.00 0.00 52.55 55.75 2pav s ASP 80 Cb -0.12 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 2pav s ASP 80 CO -0.00 -0.62 0.00 0.61 -0.17 0.00 0.00 175.17 174.99 2pav n GLY 81 N 1.27 2.91 0.64 2.66 0.00 -1.26 -4.72 105.19 106.69 2pav n GLY 81 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 2pav n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pav n GLU 82 N -0.61 0.11 -4.31 1.61 1.02 -0.97 -5.03 120.64 112.46 2pav n GLU 82 Ca 0.00 0.04 -0.37 0.00 -0.02 0.00 0.00 57.16 56.81 2pav n GLU 82 Cb 0.00 -0.78 -0.05 0.00 -0.02 0.00 0.00 31.44 30.59 2pav n GLU 82 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2pav n PHE 83 N -3.08 -1.54 -3.99 -0.32 3.72 -0.33 -4.90 117.46 107.02 2pav n PHE 83 Ca -0.10 0.75 -0.11 0.00 -0.05 0.00 0.00 57.45 57.95 2pav n PHE 83 Cb 0.57 -2.68 -0.12 0.00 -0.94 0.00 0.00 39.48 36.32 2pav n PHE 83 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2pav s SER 84 N -3.42 0.34 -0.05 4.37 1.04 -1.01 -1.13 113.70 113.84 2pav s SER 84 Ca 0.68 -0.42 0.03 0.00 0.48 0.00 0.00 55.95 56.72 2pav s SER 84 Cb -0.38 0.06 0.01 0.00 0.10 0.00 0.00 66.02 65.81 2pav s SER 84 CO 0.96 -0.22 -0.12 -0.32 0.98 0.00 0.00 173.24 174.52 2pav s MET 85 N -1.20 1.52 -0.10 4.02 1.75 0.49 -0.35 119.30 125.42 2pav s MET 85 Ca -0.12 -0.42 -0.03 0.00 -1.25 0.00 0.00 55.69 53.88 2pav s MET 85 Cb -0.08 -1.30 -0.03 0.00 2.84 0.00 0.00 34.83 36.25 2pav s MET 85 CO -0.01 0.09 0.03 -0.51 -0.65 0.00 0.00 175.02 173.97 2pav s ASP 86 N 0.44 5.43 0.16 1.11 1.11 0.08 -0.86 116.67 124.14 2pav s ASP 86 Ca -0.10 0.19 0.00 0.00 0.18 0.00 0.00 52.55 52.83 2pav s ASP 86 Cb -0.13 -1.59 -0.04 0.00 1.07 0.00 0.00 42.92 42.22 2pav s ASP 86 CO 0.03 0.37 0.03 -0.76 1.18 0.00 0.00 175.17 176.02 2pav s LEU 87 N -0.85 1.92 -0.04 1.23 1.02 0.53 -0.39 118.68 122.11 2pav s LEU 87 Ca 0.13 -1.20 0.02 0.00 0.02 0.00 0.00 54.13 53.09 2pav s LEU 87 Cb -0.12 0.12 0.01 0.00 0.02 0.00 0.00 46.19 46.23 2pav s LEU 87 CO 0.03 -0.65 -0.07 -0.60 0.02 0.00 0.00 176.35 175.07 2pav s ARG 88 N -3.99 0.91 0.84 1.70 6.06 -0.40 -1.00 118.95 123.08 2pav s ARG 88 Ca 0.25 -0.20 -0.11 0.00 -2.50 0.00 0.00 55.73 53.17 2pav s ARG 88 Cb 0.07 -0.86 0.10 0.00 0.06 0.00 0.00 34.95 34.32 2pav s ARG 88 CO 0.03 0.01 1.14 0.95 -2.50 0.00 0.00 175.30 174.93 2pav s THR 89 N 0.58 2.46 -0.04 4.11 -4.23 -0.12 -0.36 115.64 118.05 2pav s THR 89 Ca -0.08 0.16 0.05 0.00 -1.18 0.00 0.00 61.69 60.64 2pav s THR 89 Cb -0.12 -2.40 -0.02 0.00 1.34 0.00 0.00 72.50 71.30 2pav s THR 89 CO 0.01 -0.18 -0.20 -0.54 -0.54 0.00 0.00 174.62 173.16 2pav s LYS 90 N -4.59 2.37 0.29 3.99 1.02 0.32 -4.54 119.74 118.61 2pav s LYS 90 Ca 0.66 -0.81 0.07 0.00 0.02 0.00 0.00 55.97 55.91 2pav s LYS 90 Cb -0.22 -2.23 -0.06 0.00 -0.52 0.00 0.00 37.83 34.80 2pav s LYS 90 CO 0.55 0.56 -0.05 -1.54 -0.92 0.00 0.00 175.35 173.95 2pav s SER 91 N -0.60 2.87 0.16 2.83 1.04 -1.26 -4.62 113.70 114.13 2pav s SER 91 Ca 0.09 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.31 2pav s SER 91 Cb -0.11 -0.19 -0.04 0.00 0.10 0.00 0.00 66.02 65.78 2pav s SER 91 CO 0.00 -0.35 0.33 0.42 0.98 0.00 0.00 173.24 174.62 2pav s THR 92 N -2.98 5.27 0.00 2.02 -4.23 -1.26 -4.87 115.64 109.59 2pav s THR 92 Ca 0.30 -0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.35 2pav s THR 92 Cb 0.04 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 70.16 2pav s THR 92 CO 0.13 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 2pav n GLY 93 N -0.46 1.02 2.00 3.99 0.00 -1.26 -2.68 105.19 107.80 2pav n GLY 93 Ca -0.05 -0.49 -0.19 0.00 0.00 0.00 0.00 46.02 45.29 2pav n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pav n GLY 94 N 0.00 4.27 3.78 -0.02 0.00 -1.26 -4.98 105.19 106.98 2pav n GLY 94 Ca 0.00 -1.28 -0.35 0.00 0.00 0.00 0.00 46.02 44.38 2pav n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pav s ALA 95 N -1.95 2.78 0.67 4.61 0.00 -1.09 -4.96 121.76 121.81 2pav s ALA 95 Ca 0.37 0.80 -0.17 0.00 0.00 0.00 0.00 51.96 52.96 2pav s ALA 95 Cb 0.28 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 20.05 2pav s ALA 95 CO -0.03 -0.65 1.11 -0.35 0.00 0.00 0.00 175.76 175.84 2pav n PRO 96 N -1.08 0.84 -4.43 0.00 -0.04 -1.26 -4.73 135.00 124.29 2pav n PRO 96 Ca 0.10 0.34 -0.22 0.00 -0.04 0.00 0.00 63.50 63.69 2pav n PRO 96 Cb 0.51 -2.35 -0.10 0.00 -0.04 0.00 0.00 33.50 31.52 2pav n PRO 96 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2pav s THR 97 N -1.57 1.97 0.01 0.52 -4.23 -1.26 -4.80 115.64 106.27 2pav s THR 97 Ca 0.78 -2.24 -0.02 0.00 -1.18 0.00 0.00 61.69 59.04 2pav s THR 97 Cb -0.37 -2.31 -0.01 0.00 1.34 0.00 0.00 72.50 71.14 2pav s THR 97 CO 0.45 -0.40 0.02 -0.36 -0.54 0.00 0.00 174.62 173.78 2pav s PHE 98 N -2.81 0.14 0.24 3.99 0.08 -1.26 -4.69 117.98 113.67 2pav s PHE 98 Ca 0.28 -0.29 -0.17 0.00 0.12 0.00 0.00 56.93 56.87 2pav s PHE 98 Cb -0.00 -0.11 -0.08 0.00 -0.57 0.00 0.00 43.02 42.26 2pav s PHE 98 CO 0.12 -0.16 0.69 -0.80 -0.10 0.00 0.00 175.22 174.97 2pav s ASN 99 N -1.03 6.90 -0.01 1.36 -0.87 -1.26 -0.94 114.94 119.09 2pav s ASN 99 Ca -0.11 1.29 0.03 0.00 -1.57 0.00 0.00 52.86 52.50 2pav s ASN 99 Cb -0.07 -2.37 -0.00 0.00 -0.02 0.00 0.00 41.25 38.78 2pav s ASN 99 CO -0.00 -0.04 -0.09 -0.69 -2.57 0.00 0.00 177.10 173.71 2pav s VAL 100 N -1.68 0.72 0.03 1.60 1.01 -0.17 -0.88 120.40 121.03 2pav s VAL 100 Ca 0.46 -0.37 0.09 0.00 0.00 0.00 0.00 61.98 62.16 2pav s VAL 100 Cb -0.14 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 2pav s VAL 100 CO 0.20 0.21 -0.25 -0.89 0.00 0.00 0.00 175.10 174.36 2pav s THR 101 N -0.09 2.03 -0.10 3.92 2.01 -0.70 -0.35 115.64 122.37 2pav s THR 101 Ca 0.02 -1.30 0.04 0.00 0.31 0.00 0.00 61.69 60.76 2pav s THR 101 Cb -0.05 -1.73 -0.00 0.00 0.01 0.00 0.00 72.50 70.73 2pav s THR 101 CO -0.00 0.38 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.38 2pav s VAL 102 N -0.76 2.07 0.21 3.82 1.01 -0.04 -1.46 120.40 125.26 2pav s VAL 102 Ca 0.11 -1.02 0.11 0.00 0.00 0.00 0.00 61.98 61.18 2pav s VAL 102 Cb -0.10 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 2pav s VAL 102 CO 0.01 0.56 -0.23 0.42 0.00 0.00 0.00 175.10 175.87 2pav s THR 103 N 0.33 2.34 -0.13 3.92 -4.23 -0.02 -0.38 115.64 117.47 2pav s THR 103 Ca -0.19 -2.13 0.03 0.00 -1.18 0.00 0.00 61.69 58.23 2pav s THR 103 Cb -0.18 -2.15 0.01 0.00 1.34 0.00 0.00 72.50 71.52 2pav s THR 103 CO 0.09 -0.21 -0.22 -0.75 -0.54 0.00 0.00 174.62 172.99 2pav s LYS 104 N -2.91 3.01 0.00 3.99 2.20 -0.28 -1.31 119.74 124.43 2pav s LYS 104 Ca 0.23 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 54.98 2pav s LYS 104 Cb -0.07 -2.38 0.00 0.00 -1.51 0.00 0.00 37.83 33.88 2pav s LYS 104 CO 0.11 0.05 0.00 0.25 -0.36 0.00 0.00 175.35 175.40 2pav n THR 105 N 3.90 0.00 -0.31 3.43 -2.24 0.14 -4.89 114.28 114.31 2pav n THR 105 Ca -0.20 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.54 2pav n THR 105 Cb 0.52 -0.61 0.08 0.00 -2.10 0.00 0.00 70.33 68.22 2pav n THR 105 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2pav h ASP 106 N 0.00 1.07 0.00 3.42 3.32 -1.87 -3.36 116.42 119.00 2pav h ASP 106 Ca 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.94 2pav h ASP 106 Cb 0.00 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.28 2pav h ASP 106 CO 0.00 0.87 0.00 0.29 -1.72 0.00 0.00 179.24 178.68 2pav n LYS 107 N -4.36 5.47 -4.34 3.56 5.02 0.21 -4.97 118.16 118.75 2pav n LYS 107 Ca 0.08 -0.02 -0.18 0.00 -2.02 0.00 0.00 58.31 56.17 2pav n LYS 107 Cb 0.10 -0.45 -0.10 0.00 -0.02 0.00 0.00 35.03 34.56 2pav n LYS 107 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2pav s THR 108 N -0.79 1.22 -0.11 -0.18 -4.23 -1.22 -2.65 115.64 107.68 2pav s THR 108 Ca 0.00 -2.07 -0.00 0.00 -1.18 0.00 0.00 61.69 58.44 2pav s THR 108 Cb 0.00 -2.28 -0.02 0.00 1.34 0.00 0.00 72.50 71.54 2pav s THR 108 CO 0.00 -0.40 -0.10 -0.76 -0.54 0.00 0.00 174.62 172.82 2pav s LEU 109 N -3.31 2.92 -0.24 4.79 1.43 0.11 -0.68 118.68 123.69 2pav s LEU 109 Ca 0.27 -0.21 -0.10 0.00 -1.03 0.00 0.00 54.13 53.06 2pav s LEU 109 Cb 0.04 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 2pav s LEU 109 CO 0.08 0.23 0.15 -0.69 0.23 0.00 0.00 176.35 176.35 2pav s VAL 110 N -0.04 5.19 -0.04 -1.59 1.01 -0.43 -0.92 120.40 123.58 2pav s VAL 110 Ca -0.01 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.14 2pav s VAL 110 Cb -0.14 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 2pav s VAL 110 CO 0.03 0.34 -0.20 -0.76 0.00 0.00 0.00 175.10 174.51 2pav s LEU 111 N 1.18 2.37 -0.01 3.92 1.02 -0.25 -0.84 118.68 126.08 2pav s LEU 111 Ca 0.07 -0.35 0.01 0.00 0.02 0.00 0.00 54.13 53.88 2pav s LEU 111 Cb -0.14 -1.44 0.00 0.00 0.02 0.00 0.00 46.19 44.63 2pav s LEU 111 CO 0.05 0.32 -0.03 -0.76 0.02 0.00 0.00 176.35 175.95 2pav s LEU 112 N -0.59 1.89 -0.09 1.79 1.43 -0.53 -1.25 118.68 121.32 2pav s LEU 112 Ca 0.09 -0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.16 2pav s LEU 112 Cb -0.11 -0.19 0.00 0.00 0.03 0.00 0.00 46.19 45.92 2pav s LEU 112 CO 0.00 0.02 -0.21 -0.32 0.23 0.00 0.00 176.35 176.07 2pav s MET 113 N 0.08 2.72 0.67 1.70 -2.45 -0.32 -1.72 119.30 119.98 2pav s MET 113 Ca -0.00 -0.77 -0.12 0.00 -1.25 0.00 0.00 55.69 53.55 2pav s MET 113 Cb -0.03 -2.08 -0.01 0.00 1.25 0.00 0.00 34.83 33.96 2pav s MET 113 CO -0.00 0.14 1.05 0.20 1.05 0.00 0.00 175.02 177.46 2pav s GLY 114 N 0.41 1.75 1.00 2.11 0.00 -0.06 -0.56 107.32 111.97 2pav s GLY 114 Ca -0.18 0.12 -0.13 0.00 0.00 0.00 0.00 44.72 44.52 2pav s GLY 114 CO 0.08 0.42 1.12 0.54 0.00 0.00 0.00 173.10 175.26 2pav s LYS 115 N -4.88 0.43 0.22 2.90 1.02 0.10 -4.28 119.74 115.26 2pav s LYS 115 Ca 0.59 0.30 -0.32 0.00 0.02 0.00 0.00 55.97 56.55 2pav s LYS 115 Cb -0.14 -1.76 -0.13 0.00 -0.52 0.00 0.00 37.83 35.29 2pav s LYS 115 CO 0.51 -2.68 1.54 -1.91 -0.92 0.00 0.00 175.35 171.89 2pav n GLU 116 N -4.10 2.30 -0.26 1.68 2.13 -1.26 -2.01 120.64 119.13 2pav n GLU 116 Ca 0.07 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.72 2pav n GLU 116 Cb 0.58 -2.57 0.00 0.00 0.27 0.00 0.00 31.44 29.73 2pav n GLU 116 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2pav n GLY 117 N 2.76 2.07 3.70 8.31 0.00 -1.26 -5.02 105.19 115.75 2pav n GLY 117 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2pav n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pav s VAL 118 N -3.11 4.71 0.37 1.61 1.01 -0.85 -5.00 120.40 119.14 2pav s VAL 118 Ca 0.00 1.95 -0.26 0.00 0.00 0.00 0.00 61.98 63.68 2pav s VAL 118 Cb 0.00 -4.25 -0.09 0.00 0.00 0.00 0.00 36.38 32.04 2pav s VAL 118 CO 0.00 0.11 1.10 -2.28 0.00 0.00 0.00 175.10 174.03 2pav s HIS 119 N 1.34 3.27 0.54 5.22 2.46 -1.26 -4.59 115.29 122.28 2pav s HIS 119 Ca 0.52 1.63 0.24 0.00 0.47 0.00 0.00 55.06 57.92 2pav s HIS 119 Cb -0.22 -3.25 1.44 0.00 -0.13 0.00 0.00 32.58 30.42 2pav s HIS 119 CO 0.25 -0.84 2.05 0.78 -2.47 0.00 0.00 174.74 174.51 2pav h GLY 120 N 2.83 0.00 1.36 1.59 0.00 -1.94 -2.18 103.07 104.72 2pav h GLY 120 Ca -0.48 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.76 2pav h GLY 120 CO 0.63 0.00 -0.11 -1.33 0.00 0.00 0.00 176.54 175.73 2pav h GLY 121 N 0.00 0.82 1.14 4.60 0.00 -1.99 0.13 103.07 107.77 2pav h GLY 121 Ca 0.16 -0.62 -0.08 0.00 0.00 0.00 0.00 47.33 46.79 2pav h GLY 121 CO -0.00 0.57 0.06 1.41 0.00 0.00 0.00 176.54 178.57 2pav h LEU 122 N 0.69 1.01 -0.04 3.11 4.07 -1.77 -1.30 115.31 121.07 2pav h LEU 122 Ca 0.12 -0.26 -0.03 0.00 0.08 0.00 0.00 57.88 57.79 2pav h LEU 122 Cb 0.58 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.05 2pav h LEU 122 CO 0.04 1.03 -0.09 0.40 -1.08 0.00 0.00 178.44 178.73 2pav h ILE 123 N 0.97 1.45 -0.66 1.22 2.04 -1.48 -2.11 117.51 118.94 2pav h ILE 123 Ca 0.18 -1.46 0.11 0.00 1.00 0.00 0.00 64.86 64.69 2pav h ILE 123 Cb 0.48 2.33 -0.08 0.00 -0.74 0.00 0.00 36.82 38.81 2pav h ILE 123 CO 0.02 0.40 0.24 -1.13 0.00 0.00 0.00 178.15 177.67 2pav h ASN 124 N -0.41 0.21 -0.43 1.72 -0.73 -0.74 -1.54 115.58 113.66 2pav h ASN 124 Ca -0.00 0.09 -0.04 0.00 1.87 0.00 0.00 56.30 58.23 2pav h ASN 124 Cb 0.69 0.08 -0.02 0.00 0.27 0.00 0.00 38.32 39.35 2pav h ASN 124 CO 0.02 0.11 0.12 0.50 -0.37 0.00 0.00 177.43 177.81 2pav h LYS 125 N 0.40 0.67 -0.59 6.67 3.11 -1.16 -0.32 116.57 125.35 2pav h LYS 125 Ca 0.34 -0.15 -0.03 0.00 -2.81 0.00 0.00 60.65 58.00 2pav h LYS 125 Cb 0.47 -0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 31.58 2pav h LYS 125 CO -0.35 0.67 0.23 -0.22 -2.81 0.00 0.00 179.45 176.97 2pav h LYS 126 N 0.55 0.88 -0.26 1.90 3.64 -1.22 -1.85 116.57 120.22 2pav h LYS 126 Ca 0.14 -0.16 -0.18 0.00 -1.27 0.00 0.00 60.65 59.18 2pav h LYS 126 Cb 0.29 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2pav h LYS 126 CO -0.00 0.76 -0.54 0.00 -2.27 0.00 0.00 179.45 177.40 2pav h TYR 128 N 0.60 0.90 -0.59 0.00 3.20 -0.98 -0.91 116.97 119.19 2pav h TYR 128 Ca 0.02 -0.15 -0.03 0.00 3.14 0.00 0.00 58.73 61.70 2pav h TYR 128 Cb 1.12 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 39.13 2pav h TYR 128 CO 0.06 0.86 0.24 0.93 -1.64 0.00 0.00 178.16 178.61 2pav h GLU 129 N 0.69 0.88 -0.41 1.82 5.08 -1.21 0.81 114.58 122.24 2pav h GLU 129 Ca 0.14 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 2pav h GLU 129 Cb 0.49 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2pav h GLU 129 CO 0.02 0.75 -0.17 1.98 -1.00 0.00 0.00 179.01 180.59 2pav h MET 130 N 0.82 0.85 -0.69 2.33 4.05 -1.26 -1.69 114.93 119.33 2pav h MET 130 Ca 0.20 -0.36 0.04 0.00 -0.28 0.00 0.00 59.70 59.30 2pav h MET 130 Cb 0.19 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 30.91 2pav h MET 130 CO -0.02 1.00 0.42 0.00 0.23 0.00 0.00 176.91 178.54 2pav h ALA 131 N 0.83 0.92 -0.48 0.39 0.00 -0.92 -1.72 119.26 118.28 2pav h ALA 131 Ca 0.10 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2pav h ALA 131 Cb 0.73 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2pav h ALA 131 CO 0.06 0.15 0.23 1.03 0.00 0.00 0.00 179.25 180.72 2pav h SER 132 N 0.80 0.31 -0.41 0.00 0.87 -0.64 -0.77 113.55 113.71 2pav h SER 132 Ca 0.29 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.90 2pav h SER 132 Cb 0.09 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 2pav h SER 132 CO -0.14 0.22 0.24 -0.74 -0.53 0.00 0.00 176.83 175.88 2pav h HIS 133 N 0.45 0.44 -0.08 2.24 6.17 -1.07 -1.84 115.15 121.47 2pav h HIS 133 Ca 0.21 0.01 -0.11 0.00 0.71 0.00 0.00 60.37 61.20 2pav h HIS 133 Cb 0.14 -0.14 -0.01 0.00 2.52 0.00 0.00 27.41 29.92 2pav h HIS 133 CO -0.11 0.25 -0.43 -0.07 0.71 0.00 0.00 177.93 178.28 2pav h LEU 134 N 0.48 0.18 -0.26 0.26 3.38 -0.82 -2.75 115.31 115.79 2pav h LEU 134 Ca 0.16 -0.08 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 2pav h LEU 134 Cb 0.02 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2pav h LEU 134 CO -0.08 0.60 -0.71 0.03 0.09 0.00 0.00 178.44 178.37 2pav h ARG 135 N 0.15 0.72 0.00 1.13 3.08 -0.92 0.25 114.38 118.78 2pav h ARG 135 Ca 0.01 -0.55 -0.00 0.00 0.07 0.00 0.00 59.98 59.51 2pav h ARG 135 Cb 0.83 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.98 2pav h ARG 135 CO 0.06 1.17 -0.00 0.00 -1.07 0.00 0.00 179.97 180.13 2pav h ARG 136 N 0.51 0.00 -0.59 0.04 3.08 -1.08 -1.27 114.38 115.07 2pav h ARG 136 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2pav h ARG 136 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 2pav h ARG 136 CO 0.14 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.47 2pav n SER 137 N -3.36 5.37 -2.59 7.04 7.64 -0.98 -4.93 113.62 121.79 2pav n SER 137 Ca -0.03 -2.77 -0.19 0.00 1.01 0.00 0.00 58.87 56.89 2pav n SER 137 Cb 0.07 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 2pav n SER 137 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pav n GLN 138 N 0.77 -2.57 0.00 1.43 3.00 -0.48 -5.05 117.38 114.47 2pav n GLN 138 Ca 0.27 0.87 0.03 0.00 -0.01 0.00 0.00 57.00 58.16 2pav n GLN 138 Cb 1.09 -5.56 0.02 0.00 0.00 0.00 0.00 30.24 25.79 2pav n GLN 138 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72