#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o2l s PRO 2 N 0.00 2.23 0.00 0.00 0.02 -1.26 -4.94 135.00 131.05 2o2l s PRO 2 Ca 0.00 1.91 0.10 0.00 0.02 0.00 0.00 61.00 63.03 2o2l s PRO 2 Cb 0.00 -1.83 0.14 0.00 0.02 0.00 0.00 34.50 32.84 2o2l s PRO 2 CO 0.00 -1.81 0.95 1.04 -0.33 0.00 0.00 177.00 176.86 2o2l n GLN 3 N -2.45 1.19 -3.74 5.54 6.02 -1.26 -4.96 117.38 117.73 2o2l n GLN 3 Ca 0.15 -1.39 -0.08 0.00 -0.01 0.00 0.00 57.00 55.66 2o2l n GLN 3 Cb 0.49 -1.21 -0.02 0.00 1.02 0.00 0.00 30.24 30.52 2o2l n GLN 3 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2o2l s SER 4 N -0.90 -0.34 0.39 1.08 1.04 -1.26 -5.04 113.70 108.67 2o2l s SER 4 Ca 0.15 -0.44 0.10 0.00 0.48 0.00 0.00 55.95 56.24 2o2l s SER 4 Cb 0.09 0.69 0.79 0.00 0.10 0.00 0.00 66.02 67.70 2o2l s SER 4 CO 0.13 -1.24 1.92 -0.29 0.98 0.00 0.00 173.24 174.75 2o2l h ILE 5 N 2.00 1.17 -0.15 -1.02 2.10 -1.95 -1.22 117.51 118.44 2o2l h ILE 5 Ca -0.23 -0.76 -0.14 0.00 1.08 0.00 0.00 64.86 64.80 2o2l h ILE 5 Cb 1.27 1.20 0.00 0.00 -1.09 0.00 0.00 36.82 38.20 2o2l h ILE 5 CO 0.27 0.24 -0.47 0.74 -1.08 0.00 0.00 178.15 177.85 2o2l h THR 6 N 0.22 1.34 -0.46 2.19 2.02 -1.98 -0.11 112.91 116.12 2o2l h THR 6 Ca 0.05 -1.74 -0.05 0.00 0.77 0.00 0.00 66.41 65.43 2o2l h THR 6 Cb 0.36 2.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 2o2l h THR 6 CO 0.02 0.53 0.08 -0.08 0.37 0.00 0.00 175.52 176.44 2o2l h GLU 7 N 0.24 0.77 -0.26 6.66 4.81 -1.89 -2.17 114.58 122.73 2o2l h GLU 7 Ca -0.02 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.00 2o2l h GLU 7 Cb 1.09 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 2o2l h GLU 7 CO 0.10 0.78 0.12 1.25 -0.73 0.00 0.00 179.01 180.53 2o2l h LEU 8 N 0.64 0.35 -1.40 1.64 6.46 -1.20 -2.79 115.31 119.02 2o2l h LEU 8 Ca 0.14 -0.14 0.01 0.00 -0.12 0.00 0.00 57.88 57.76 2o2l h LEU 8 Cb 0.38 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 2o2l h LEU 8 CO 0.01 0.40 0.40 0.00 -0.62 0.00 0.00 178.44 178.63 2o2l h SER 10 N 0.83 0.00 0.65 0.00 4.64 -1.11 -2.44 113.55 116.12 2o2l h SER 10 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2o2l h SER 10 Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2o2l h SER 10 CO -0.05 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.29 2o2l n GLU 11 N -3.09 0.02 -4.36 4.77 1.02 -0.93 -4.85 120.64 113.23 2o2l n GLU 11 Ca -0.01 0.16 -0.29 0.00 -0.02 0.00 0.00 57.16 57.00 2o2l n GLU 11 Cb 0.21 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.01 2o2l n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2o2l s TYR 12 N -2.97 2.39 0.29 -0.32 1.51 -0.92 -5.13 117.35 112.20 2o2l s TYR 12 Ca 0.10 -0.34 -0.11 0.00 -1.01 0.00 0.00 57.07 55.71 2o2l s TYR 12 Cb 0.13 -1.27 -0.08 0.00 -0.11 0.00 0.00 41.96 40.64 2o2l s TYR 12 CO 0.35 0.38 0.64 -3.38 -1.11 0.00 0.00 175.55 172.44 2o2l s HIS 13 N -1.19 3.41 -1.45 2.71 -3.43 -1.26 -4.31 115.29 109.77 2o2l s HIS 13 Ca 0.17 1.00 -0.07 0.00 -0.80 0.00 0.00 55.06 55.36 2o2l s HIS 13 Cb -0.10 -2.37 0.01 0.00 -1.43 0.00 0.00 32.58 28.69 2o2l s HIS 13 CO 0.08 0.15 0.87 0.09 -2.00 0.00 0.00 174.74 173.93 2o2l n ASN 14 N -0.42 -6.21 -4.35 7.38 3.02 -1.26 -4.96 115.26 108.46 2o2l n ASN 14 Ca 0.02 -0.40 -0.24 0.00 -0.03 0.00 0.00 54.58 53.92 2o2l n ASN 14 Cb 0.53 -4.94 -0.12 0.00 -0.61 0.00 0.00 39.78 34.64 2o2l n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2o2l s THR 15 N -3.24 1.98 0.05 3.41 -4.23 -1.26 -0.93 115.64 111.42 2o2l s THR 15 Ca 0.43 -1.83 -0.08 0.00 -1.18 0.00 0.00 61.69 59.03 2o2l s THR 15 Cb -0.19 -1.86 -0.00 0.00 1.34 0.00 0.00 72.50 71.79 2o2l s THR 15 CO 0.53 -0.15 0.15 0.00 -0.54 0.00 0.00 174.62 174.61 2o2l s GLN 16 N -2.45 0.70 -0.10 3.99 -2.07 -0.06 -4.91 119.66 114.75 2o2l s GLN 16 Ca 0.14 -0.79 -0.21 0.00 -1.82 0.00 0.00 55.36 52.69 2o2l s GLN 16 Cb -0.08 0.28 -0.04 0.00 -1.09 0.00 0.00 33.01 32.08 2o2l s GLN 16 CO 0.07 -0.20 0.58 0.42 -1.32 0.00 0.00 175.29 174.84 2o2l s ILE 17 N -3.01 5.12 -0.14 3.63 -1.09 -1.26 -1.21 121.20 123.25 2o2l s ILE 17 Ca -0.02 1.17 -0.05 0.00 -2.23 0.00 0.00 60.65 59.52 2o2l s ILE 17 Cb 0.01 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 36.94 2o2l s ILE 17 CO -0.06 0.29 0.05 -0.31 -1.23 0.00 0.00 174.94 173.68 2o2l s TYR 18 N 0.72 3.27 -0.32 3.97 1.51 0.22 -4.98 117.35 121.73 2o2l s TYR 18 Ca 0.31 0.16 -0.19 0.00 -1.01 0.00 0.00 57.07 56.34 2o2l s TYR 18 Cb -0.16 -1.95 -0.01 0.00 -0.11 0.00 0.00 41.96 39.73 2o2l s TYR 18 CO 0.14 0.34 0.59 0.99 -1.11 0.00 0.00 175.55 176.50 2o2l s THR 19 N -0.27 4.96 -0.17 -0.71 2.01 -1.26 -1.19 115.64 119.01 2o2l s THR 19 Ca 0.08 0.67 -0.14 0.00 0.31 0.00 0.00 61.69 62.61 2o2l s THR 19 Cb -0.12 -3.99 -0.06 0.00 0.01 0.00 0.00 72.50 68.34 2o2l s THR 19 CO 0.02 -0.17 -0.23 -0.38 -0.69 0.00 0.00 174.62 173.16 2o2l n ILE 20 N 5.42 1.47 -3.86 1.82 2.08 0.13 -5.00 119.36 121.43 2o2l n ILE 20 Ca -0.02 0.11 -0.27 0.00 0.56 0.00 0.00 62.75 63.13 2o2l n ILE 20 Cb 0.49 -2.30 0.02 0.00 -0.75 0.00 0.00 39.64 37.10 2o2l n ILE 20 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 2o2l n ASN 21 N -4.50 -3.35 -3.57 4.38 5.15 -0.12 -4.94 115.26 108.30 2o2l n ASN 21 Ca -0.16 -0.81 -0.09 0.00 -0.60 0.00 0.00 54.58 52.91 2o2l n ASN 21 Cb 0.46 -3.86 -0.02 0.00 -0.53 0.00 0.00 39.78 35.83 2o2l n ASN 21 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2o2l s ASP 22 N -3.71 -0.42 0.60 1.20 2.15 -0.79 -4.92 116.67 110.78 2o2l s ASP 22 Ca 0.42 -0.18 -0.10 0.00 0.43 0.00 0.00 52.55 53.13 2o2l s ASP 22 Cb -0.21 0.57 -0.03 0.00 -0.30 0.00 0.00 42.92 42.95 2o2l s ASP 22 CO 0.83 -0.97 0.98 -1.59 -0.17 0.00 0.00 175.17 174.25 2o2l s LYS 23 N -3.61 3.48 0.13 4.34 -2.85 -1.26 -0.27 119.74 119.69 2o2l s LYS 23 Ca 0.05 0.57 -0.30 0.00 -1.00 0.00 0.00 55.97 55.28 2o2l s LYS 23 Cb -0.02 -2.15 -0.07 0.00 -2.06 0.00 0.00 37.83 33.53 2o2l s LYS 23 CO -0.06 -0.55 1.23 0.42 0.10 0.00 0.00 175.35 176.49 2o2l s ILE 24 N -3.10 3.69 -0.08 3.79 1.01 -1.26 -4.81 121.20 120.44 2o2l s ILE 24 Ca 0.54 1.30 -0.26 0.00 0.00 0.00 0.00 60.65 62.23 2o2l s ILE 24 Cb -0.11 -3.83 -0.25 0.00 0.01 0.00 0.00 42.46 38.28 2o2l s ILE 24 CO 0.51 0.15 0.93 0.25 0.00 0.00 0.00 174.94 176.78 2o2l h LEU 25 N 6.11 0.17 -7.91 2.97 5.85 -0.99 -3.47 115.31 118.04 2o2l h LEU 25 Ca -0.43 -0.86 -0.21 0.00 0.84 0.00 0.00 57.88 57.22 2o2l h LEU 25 Cb 1.21 -0.05 -0.24 0.00 0.37 0.00 0.00 40.66 41.95 2o2l h LEU 25 CO 0.79 1.01 -0.71 -0.94 -0.34 0.00 0.00 178.44 178.25 2o2l s SER 26 N -6.34 0.25 -0.12 1.25 1.04 -1.12 -4.99 113.70 103.66 2o2l s SER 26 Ca -0.17 -0.31 0.02 0.00 0.48 0.00 0.00 55.95 55.97 2o2l s SER 26 Cb -0.00 0.05 -0.00 0.00 0.10 0.00 0.00 66.02 66.16 2o2l s SER 26 CO 0.73 -0.17 -0.19 -0.47 0.98 0.00 0.00 173.24 174.12 2o2l s TYR 27 N -0.89 2.68 -0.04 5.02 6.14 -1.26 -1.84 117.35 127.16 2o2l s TYR 27 Ca -0.09 -0.99 0.05 0.00 0.64 0.00 0.00 57.07 56.67 2o2l s TYR 27 Cb -0.06 -1.79 -0.01 0.00 0.42 0.00 0.00 41.96 40.52 2o2l s TYR 27 CO -0.00 -0.41 -0.19 0.99 0.64 0.00 0.00 175.55 176.58 2o2l s THR 28 N 0.51 1.56 -0.03 4.34 2.01 0.13 -4.99 115.64 119.17 2o2l s THR 28 Ca -0.12 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.10 2o2l s THR 28 Cb -0.17 -1.34 0.01 0.00 0.01 0.00 0.00 72.50 71.02 2o2l s THR 28 CO 0.05 0.45 -0.06 -0.70 -0.69 0.00 0.00 174.62 173.67 2o2l s GLU 29 N -0.03 0.76 -0.01 4.92 2.12 -1.26 0.49 118.70 125.68 2o2l s GLU 29 Ca -0.03 -0.17 0.06 0.00 0.36 0.00 0.00 54.97 55.19 2o2l s GLU 29 Cb -0.12 -0.75 -0.02 0.00 0.26 0.00 0.00 34.13 33.51 2o2l s GLU 29 CO 0.02 0.01 -0.20 0.45 -0.54 0.00 0.00 175.26 175.01 2o2l s SER 30 N 0.50 2.30 -0.08 -1.70 0.15 -0.18 -4.99 113.70 109.69 2o2l s SER 30 Ca -0.07 -0.36 0.12 0.00 0.70 0.00 0.00 55.95 56.35 2o2l s SER 30 Cb -0.10 -0.25 0.31 0.00 -1.71 0.00 0.00 66.02 64.27 2o2l s SER 30 CO 0.00 0.24 1.24 1.15 1.20 0.00 0.00 173.24 177.07 2o2l n MET 31 N 2.58 2.57 -2.30 5.44 0.00 -1.26 -2.74 117.12 121.42 2o2l n MET 31 Ca -0.15 -2.31 -0.41 0.00 0.00 0.00 0.00 57.70 54.84 2o2l n MET 31 Cb 0.53 -1.45 -0.03 0.00 0.00 0.00 0.00 33.22 32.27 2o2l n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2o2l s ALA 32 N -1.99 3.46 0.14 3.17 0.00 -1.26 -4.86 121.76 120.42 2o2l s ALA 32 Ca 0.27 1.07 -0.35 0.00 0.00 0.00 0.00 51.96 52.95 2o2l s ALA 32 Cb 0.20 -3.41 -0.15 0.00 0.00 0.00 0.00 23.12 19.77 2o2l s ALA 32 CO 0.08 -0.40 1.49 0.41 0.00 0.00 0.00 175.76 177.33 2o2l n GLY 33 N 1.16 0.88 3.55 0.00 0.00 -1.26 -0.64 105.19 108.88 2o2l n GLY 33 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.68 2o2l n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2o2l n LYS 34 N 3.03 0.00 -2.48 1.61 5.02 -1.26 -4.83 118.16 119.25 2o2l n LYS 34 Ca 0.17 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.30 2o2l n LYS 34 Cb 0.26 -2.81 0.02 0.00 -0.02 0.00 0.00 35.03 32.48 2o2l n LYS 34 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2o2l n ARG 35 N -2.00 2.57 -2.50 1.97 5.12 0.18 -4.94 116.66 117.06 2o2l n ARG 35 Ca 0.00 -3.90 -0.39 0.00 -1.93 0.00 0.00 57.85 51.63 2o2l n ARG 35 Cb 0.00 -1.88 -0.03 0.00 -1.16 0.00 0.00 32.46 29.39 2o2l n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2o2l s GLU 36 N -3.52 3.48 0.14 5.56 8.01 -1.17 -4.25 118.70 126.94 2o2l s GLU 36 Ca 0.39 -1.03 -0.16 0.00 0.01 0.00 0.00 54.97 54.19 2o2l s GLU 36 Cb 0.40 -5.32 0.03 0.00 -4.31 0.00 0.00 34.13 24.93 2o2l s GLU 36 CO -0.04 -2.34 0.42 0.00 0.01 0.00 0.00 175.26 173.31 2o2l s MET 37 N 5.21 1.12 0.09 1.61 0.23 -1.11 -4.14 119.30 122.31 2o2l s MET 37 Ca 0.49 -0.74 0.08 0.00 -1.03 0.00 0.00 55.69 54.48 2o2l s MET 37 Cb -0.01 0.48 -0.04 0.00 -1.53 0.00 0.00 34.83 33.73 2o2l s MET 37 CO -0.09 -0.44 -0.14 0.08 -2.03 0.00 0.00 175.02 172.40 2o2l s VAL 38 N -3.82 3.09 -0.08 5.16 1.01 -1.04 -1.01 120.40 123.72 2o2l s VAL 38 Ca 0.04 -1.31 0.01 0.00 0.00 0.00 0.00 61.98 60.72 2o2l s VAL 38 Cb 0.01 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 34.01 2o2l s VAL 38 CO -0.10 0.16 -0.09 -0.63 0.00 0.00 0.00 175.10 174.44 2o2l s ILE 39 N -1.13 1.02 0.24 2.22 1.01 0.18 -1.32 121.20 123.43 2o2l s ILE 39 Ca 0.19 -0.36 0.10 0.00 0.00 0.00 0.00 60.65 60.58 2o2l s ILE 39 Cb -0.11 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 2o2l s ILE 39 CO 0.11 0.35 -0.07 0.27 0.00 0.00 0.00 174.94 175.59 2o2l s ILE 40 N 1.16 3.17 0.02 2.92 -4.36 0.89 0.17 121.20 125.16 2o2l s ILE 40 Ca -0.06 -1.93 -0.02 0.00 -0.26 0.00 0.00 60.65 58.38 2o2l s ILE 40 Cb -0.14 -2.65 -0.01 0.00 1.25 0.00 0.00 42.46 40.91 2o2l s ILE 40 CO -0.02 -0.29 0.03 -0.89 0.24 0.00 0.00 174.94 174.00 2o2l s THR 41 N -2.16 0.10 0.16 8.37 2.01 -0.77 -0.95 115.64 122.40 2o2l s THR 41 Ca 0.29 -0.87 0.06 0.00 0.31 0.00 0.00 61.69 61.48 2o2l s THR 41 Cb -0.07 -0.36 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 2o2l s THR 41 CO 0.17 -0.48 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.14 2o2l s PHE 42 N -1.52 1.42 -0.32 4.92 0.08 -0.61 -0.26 117.98 121.68 2o2l s PHE 42 Ca -0.15 -0.65 0.27 0.00 0.12 0.00 0.00 56.93 56.52 2o2l s PHE 42 Cb -0.09 -0.70 1.04 0.00 -0.57 0.00 0.00 43.02 42.70 2o2l s PHE 42 CO -0.00 0.17 1.80 1.57 -0.10 0.00 0.00 175.22 178.66 2o2l h LYS 43 N 2.92 0.00 -0.47 0.44 2.10 -1.88 -0.18 116.57 119.50 2o2l h LYS 43 Ca -0.38 0.00 0.14 0.00 -2.00 0.00 0.00 60.65 58.41 2o2l h LYS 43 Cb 1.20 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.51 2o2l h LYS 43 CO 0.60 0.00 0.46 0.66 -2.00 0.00 0.00 179.45 179.16 2o2l h SER 44 N 0.00 0.00 0.00 7.07 4.64 -1.98 -3.45 113.55 119.83 2o2l h SER 44 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2o2l h SER 44 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2o2l h SER 44 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2o2l n GLY 45 N -1.52 0.68 3.76 -0.77 0.00 -0.08 -5.09 105.19 102.16 2o2l n GLY 45 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 2o2l n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o2l s ALA 46 N -2.00 3.31 -0.04 4.61 0.00 -1.23 -4.88 121.76 121.53 2o2l s ALA 46 Ca 0.00 0.62 0.03 0.00 0.00 0.00 0.00 51.96 52.61 2o2l s ALA 46 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.91 2o2l s ALA 46 CO 0.00 0.17 -0.12 0.99 0.00 0.00 0.00 175.76 176.79 2o2l s THR 47 N -1.29 1.08 0.05 0.00 2.01 -1.26 -1.58 115.64 114.66 2o2l s THR 47 Ca 0.44 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.96 2o2l s THR 47 Cb -0.25 -0.96 -0.03 0.00 0.01 0.00 0.00 72.50 71.28 2o2l s THR 47 CO 0.31 0.33 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.13 2o2l s PHE 48 N 0.28 0.73 0.24 4.92 0.08 -0.13 -4.02 117.98 120.09 2o2l s PHE 48 Ca -0.07 -0.57 0.09 0.00 0.12 0.00 0.00 56.93 56.50 2o2l s PHE 48 Cb -0.12 -0.43 -0.04 0.00 -0.57 0.00 0.00 43.02 41.86 2o2l s PHE 48 CO 0.02 -0.09 0.02 1.14 -0.10 0.00 0.00 175.22 176.21 2o2l s GLN 49 N -1.96 2.38 -0.25 0.44 -2.07 -0.79 -0.07 119.66 117.33 2o2l s GLN 49 Ca -0.06 -1.30 -0.11 0.00 -1.82 0.00 0.00 55.36 52.07 2o2l s GLN 49 Cb -0.07 -2.25 -0.05 0.00 -1.09 0.00 0.00 33.01 29.54 2o2l s GLN 49 CO -0.00 0.39 0.19 0.08 -1.32 0.00 0.00 175.29 174.63 2o2l s VAL 50 N -2.13 5.33 0.31 3.63 1.01 -0.44 -1.25 120.40 126.85 2o2l s VAL 50 Ca 0.30 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.49 2o2l s VAL 50 Cb -0.07 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2o2l s VAL 50 CO 0.20 0.30 0.52 -1.83 0.00 0.00 0.00 175.10 174.29 2o2l s GLU 51 N 1.37 3.52 0.22 2.72 -1.05 -1.26 -2.49 118.70 121.73 2o2l s GLU 51 Ca 0.08 -0.28 -0.32 0.00 -0.15 0.00 0.00 54.97 54.31 2o2l s GLU 51 Cb -0.15 -2.69 -0.12 0.00 -0.44 0.00 0.00 34.13 30.73 2o2l s GLU 51 CO 0.07 0.21 1.71 0.28 0.95 0.00 0.00 175.26 178.48 2o2l n VAL 52 N -1.42 0.11 -1.75 1.83 0.31 -1.26 -4.88 118.33 111.27 2o2l n VAL 52 Ca -0.04 -0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.84 2o2l n VAL 52 Cb 0.55 -1.98 -0.01 0.00 -0.91 0.00 0.00 33.84 31.49 2o2l n VAL 52 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2o2l n PRO 53 N 3.76 2.67 -0.07 5.55 -0.02 -1.26 -4.96 135.00 140.67 2o2l n PRO 53 Ca 0.15 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.58 2o2l n PRO 53 Cb 0.35 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.11 2o2l n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2o2l n GLY 54 N 1.95 3.04 3.55 -1.23 0.00 -1.26 -5.10 105.19 106.14 2o2l n GLY 54 Ca 0.08 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 2o2l n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2o2l s SER 55 N 1.75 5.24 0.00 1.61 1.04 -1.26 -5.10 113.70 116.99 2o2l s SER 55 Ca 0.00 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.44 2o2l s SER 55 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2o2l s SER 55 CO 0.00 -2.48 0.00 -1.54 0.98 0.00 0.00 173.24 170.20 2o2l n SER 60 N 13.09 0.00 0.23 7.02 3.41 -1.26 -5.24 113.62 130.87 2o2l n SER 60 Ca 0.26 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.99 2o2l n SER 60 Cb 0.50 0.00 0.41 0.00 -0.26 0.00 0.00 64.21 64.87 2o2l n SER 60 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2o2l h GLN 61 N 0.00 0.00 -0.25 4.33 4.20 -2.02 -3.24 115.11 118.13 2o2l h GLN 61 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 2o2l h GLN 61 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2o2l h GLN 61 CO 0.00 0.13 -0.01 0.87 -0.67 0.00 0.00 178.83 179.15 2o2l h LYS 62 N 0.00 0.46 -0.11 1.46 1.57 -2.00 -0.33 116.57 117.62 2o2l h LYS 62 Ca -0.00 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.56 2o2l h LYS 62 Cb 0.80 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 2o2l h LYS 62 CO 0.02 0.63 -0.23 0.87 -0.57 0.00 0.00 179.45 180.17 2o2l h LYS 63 N 0.23 0.19 -0.39 3.15 1.57 -2.01 -2.90 116.57 116.42 2o2l h LYS 63 Ca 0.07 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.65 2o2l h LYS 63 Cb 0.43 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2o2l h LYS 63 CO 0.01 0.42 -0.31 0.00 -0.57 0.00 0.00 179.45 179.01 2o2l h ALA 64 N 1.59 0.56 -0.17 3.86 0.00 -1.49 -0.12 119.26 123.48 2o2l h ALA 64 Ca 0.03 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.56 2o2l h ALA 64 Cb 0.51 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2o2l h ALA 64 CO 0.04 0.60 -0.05 0.82 0.00 0.00 0.00 179.25 180.65 2o2l h ILE 65 N 0.70 0.80 -0.63 0.00 2.04 -1.00 0.43 117.51 119.86 2o2l h ILE 65 Ca 0.07 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.99 2o2l h ILE 65 Cb 0.89 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.72 2o2l h ILE 65 CO 0.08 0.00 0.35 -0.33 0.00 0.00 0.00 178.15 178.25 2o2l h GLU 66 N -0.02 0.63 -0.71 2.37 4.39 -1.32 -1.55 114.58 118.37 2o2l h GLU 66 Ca 0.09 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 2o2l h GLU 66 Cb 0.15 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 2o2l h GLU 66 CO -0.19 0.41 0.23 -0.09 -1.16 0.00 0.00 179.01 178.21 2o2l h ARG 67 N 0.65 1.10 -0.74 2.33 2.43 -0.68 -1.04 114.38 118.43 2o2l h ARG 67 Ca 0.28 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2o2l h ARG 67 Cb 0.17 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 2o2l h ARG 67 CO -0.18 0.94 0.44 1.98 -1.51 0.00 0.00 179.97 181.65 2o2l h MET 68 N 1.04 1.00 -0.67 0.20 4.05 -0.34 0.91 114.93 121.13 2o2l h MET 68 Ca 0.23 -0.09 -0.08 0.00 -0.28 0.00 0.00 59.70 59.48 2o2l h MET 68 Cb 0.30 -0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 30.86 2o2l h MET 68 CO -0.01 0.71 0.10 0.87 0.23 0.00 0.00 176.91 178.81 2o2l h LYS 69 N 1.01 1.12 -0.15 0.39 1.57 -1.03 0.33 116.57 119.80 2o2l h LYS 69 Ca 0.26 -0.31 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2o2l h LYS 69 Cb -0.04 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 2o2l h LYS 69 CO -0.05 1.02 0.05 -0.44 -0.57 0.00 0.00 179.45 179.46 2o2l h ASP 70 N 1.04 0.05 -0.38 0.86 3.32 -0.61 -1.89 116.42 118.82 2o2l h ASP 70 Ca 0.20 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 2o2l h ASP 70 Cb 0.46 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 2o2l h ASP 70 CO 0.02 0.05 0.14 0.74 -1.72 0.00 0.00 179.24 178.46 2o2l h THR 71 N 0.12 1.20 -0.76 0.35 2.02 -0.36 -2.24 112.91 113.24 2o2l h THR 71 Ca 0.06 -0.64 -0.03 0.00 0.77 0.00 0.00 66.41 66.58 2o2l h THR 71 Cb 0.04 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 2o2l h THR 71 CO -0.07 0.23 0.36 -0.07 0.37 0.00 0.00 175.52 176.34 2o2l h LEU 72 N 0.46 0.99 0.12 2.58 3.38 -0.84 -0.35 115.31 121.65 2o2l h LEU 72 Ca 0.12 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2o2l h LEU 72 Cb 0.22 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2o2l h LEU 72 CO -0.01 0.84 -0.06 -0.09 0.09 0.00 0.00 178.44 179.21 2o2l h ARG 73 N 1.08 -0.15 0.00 1.13 2.43 -0.99 0.38 114.38 118.27 2o2l h ARG 73 Ca 0.26 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.35 2o2l h ARG 73 Cb 0.11 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2o2l h ARG 73 CO -0.03 0.05 -0.42 0.97 -1.51 0.00 0.00 179.97 179.02 2o2l h ILE 74 N -0.33 1.28 -0.22 1.20 6.09 -1.33 -1.30 117.51 122.91 2o2l h ILE 74 Ca -0.02 -1.46 -0.04 0.00 -1.37 0.00 0.00 64.86 61.98 2o2l h ILE 74 Cb 0.27 1.79 -0.01 0.00 0.47 0.00 0.00 36.82 39.34 2o2l h ILE 74 CO 0.03 0.41 -0.00 0.74 -3.07 0.00 0.00 178.15 176.26 2o2l h THR 75 N 0.00 1.26 -0.13 2.19 2.02 -0.91 -1.46 112.91 115.88 2o2l h THR 75 Ca -0.00 -0.90 0.02 0.00 0.77 0.00 0.00 66.41 66.30 2o2l h THR 75 Cb 0.76 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 2o2l h THR 75 CO 0.05 0.28 -0.02 0.22 0.37 0.00 0.00 175.52 176.42 2o2l h TYR 76 N 0.14 -0.05 -0.30 3.16 3.20 -0.58 -1.20 116.97 121.36 2o2l h TYR 76 Ca 0.06 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.81 2o2l h TYR 76 Cb 0.41 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 2o2l h TYR 76 CO 0.04 -0.04 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.09 2o2l h LEU 77 N 0.02 0.70 -0.64 2.82 3.38 -1.11 -1.44 115.31 119.03 2o2l h LEU 77 Ca 0.06 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2o2l h LEU 77 Cb 0.09 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2o2l h LEU 77 CO -0.12 0.99 0.00 0.35 0.09 0.00 0.00 178.44 179.75 2o2l n THR 78 N -4.05 0.11 -3.80 0.22 -2.24 -0.56 -4.93 114.28 99.03 2o2l n THR 78 Ca -0.01 -0.20 -0.30 0.00 -2.27 0.00 0.00 64.05 61.27 2o2l n THR 78 Cb 0.50 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 2o2l n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2o2l n GLU 79 N -0.15 -4.07 -2.34 -0.78 1.02 -0.54 -4.91 120.64 108.87 2o2l n GLU 79 Ca 0.16 0.50 -0.41 0.00 -0.02 0.00 0.00 57.16 57.38 2o2l n GLU 79 Cb 0.22 -5.28 -0.03 0.00 -0.02 0.00 0.00 31.44 26.33 2o2l n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2o2l s THR 80 N -3.16 3.53 -0.29 2.62 2.01 -0.53 -4.77 115.64 115.04 2o2l s THR 80 Ca 0.59 1.26 -0.29 0.00 0.31 0.00 0.00 61.69 63.56 2o2l s THR 80 Cb -0.31 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.39 2o2l s THR 80 CO 0.73 0.19 1.49 -0.75 -0.69 0.00 0.00 174.62 175.58 2o2l s LYS 81 N -0.07 3.76 0.23 4.92 2.20 -1.26 -4.36 119.74 125.15 2o2l s LYS 81 Ca 0.54 1.37 -0.30 0.00 -0.36 0.00 0.00 55.97 57.22 2o2l s LYS 81 Cb -0.33 -3.99 -0.09 0.00 -1.51 0.00 0.00 37.83 31.91 2o2l s LYS 81 CO 0.36 -1.33 0.95 0.42 -0.36 0.00 0.00 175.35 175.38 2o2l s ILE 82 N 5.11 4.08 -0.01 5.43 1.01 0.63 -4.33 121.20 133.12 2o2l s ILE 82 Ca 0.65 2.07 -0.01 0.00 0.00 0.00 0.00 60.65 63.36 2o2l s ILE 82 Cb -0.20 -4.32 -0.00 0.00 0.01 0.00 0.00 42.46 37.95 2o2l s ILE 82 CO 0.28 0.48 -0.01 -0.78 0.00 0.00 0.00 174.94 174.91 2o2l h ASP 83 N 4.25 0.00 -4.57 3.58 3.58 -0.85 -0.11 116.42 122.30 2o2l h ASP 83 Ca -0.45 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 56.71 2o2l h ASP 83 Cb 1.20 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 42.07 2o2l h ASP 83 CO 0.68 0.06 -0.73 -0.54 -2.88 0.00 0.00 179.24 175.84 2o2l s LYS 84 N -1.10 0.74 -0.01 0.28 1.02 -1.12 -0.69 119.74 118.86 2o2l s LYS 84 Ca -0.01 -1.06 0.08 0.00 0.02 0.00 0.00 55.97 55.00 2o2l s LYS 84 Cb 0.00 -0.39 -0.02 0.00 -0.52 0.00 0.00 37.83 36.90 2o2l s LYS 84 CO 0.02 0.05 -0.25 -0.51 -0.92 0.00 0.00 175.35 173.74 2o2l s LEU 85 N -2.26 2.16 -0.24 3.17 1.43 -0.34 -1.21 118.68 121.40 2o2l s LEU 85 Ca 0.01 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.56 2o2l s LEU 85 Cb -0.04 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 2o2l s LEU 85 CO -0.01 0.31 0.11 0.00 0.23 0.00 0.00 176.35 176.99 2o2l s VAL 87 N 1.24 0.87 -0.09 0.00 -7.23 -0.35 -0.10 120.40 114.74 2o2l s VAL 87 Ca 0.06 -1.41 -0.24 0.00 -1.81 0.00 0.00 61.98 58.58 2o2l s VAL 87 Cb -0.14 -1.09 -0.03 0.00 0.56 0.00 0.00 36.38 35.67 2o2l s VAL 87 CO 0.05 -0.43 0.74 0.26 -0.31 0.00 0.00 175.10 175.40 2o2l s TRP 88 N -1.88 3.54 -0.92 2.82 0.51 0.40 -0.88 118.94 122.52 2o2l s TRP 88 Ca -0.00 1.26 0.13 0.00 -2.12 0.00 0.00 56.10 55.37 2o2l s TRP 88 Cb -0.06 -2.86 0.41 0.00 -0.81 0.00 0.00 33.47 30.14 2o2l s TRP 88 CO 0.01 0.01 1.34 0.27 -0.51 0.00 0.00 176.95 178.07 2o2l n ASN 89 N 4.12 3.35 -0.74 2.95 0.23 -0.11 -2.01 115.26 123.05 2o2l n ASN 89 Ca 0.00 -2.21 0.09 0.00 -0.53 0.00 0.00 54.58 51.94 2o2l n ASN 89 Cb 0.51 -0.34 0.27 0.00 -2.08 0.00 0.00 39.78 38.14 2o2l n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2o2l n ASN 90 N 0.51 2.18 -4.34 0.53 6.94 -1.26 -4.87 115.26 114.95 2o2l n ASN 90 Ca 0.16 -1.88 -0.21 0.00 -0.02 0.00 0.00 54.58 52.63 2o2l n ASN 90 Cb 0.56 -0.21 -0.11 0.00 -2.36 0.00 0.00 39.78 37.67 2o2l n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2o2l s LYS 91 N -1.59 1.29 -0.09 -3.83 1.02 -1.26 -5.10 119.74 110.19 2o2l s LYS 91 Ca 0.31 -1.44 0.02 0.00 0.02 0.00 0.00 55.97 54.88 2o2l s LYS 91 Cb 0.17 -1.31 0.02 0.00 -0.52 0.00 0.00 37.83 36.18 2o2l s LYS 91 CO 0.24 0.26 -0.13 0.99 -0.92 0.00 0.00 175.35 175.79 2o2l s THR 92 N -2.18 1.28 1.03 2.17 2.01 -1.26 -2.82 115.64 115.86 2o2l s THR 92 Ca 0.17 -0.52 -0.12 0.00 0.31 0.00 0.00 61.69 61.53 2o2l s THR 92 Cb -0.05 -1.18 0.21 0.00 0.01 0.00 0.00 72.50 71.49 2o2l s THR 92 CO 0.07 0.39 1.08 -2.16 -0.69 0.00 0.00 174.62 173.31 2o2l s PRO 93 N 0.93 0.17 0.32 4.92 0.04 -1.26 -5.04 135.00 135.08 2o2l s PRO 93 Ca -0.09 1.01 -0.29 0.00 0.04 0.00 0.00 61.00 61.68 2o2l s PRO 93 Cb -0.15 -1.67 -0.12 0.00 0.04 0.00 0.00 34.50 32.60 2o2l s PRO 93 CO 0.00 -3.04 1.35 0.09 0.04 0.00 0.00 177.00 175.44 2o2l n ASN 94 N -4.46 2.95 -4.78 6.66 5.03 -1.13 -4.56 115.26 114.98 2o2l n ASN 94 Ca 0.06 1.20 -0.37 0.00 0.87 0.00 0.00 54.58 56.34 2o2l n ASN 94 Cb 0.54 -1.50 -0.06 0.00 -1.02 0.00 0.00 39.78 37.74 2o2l n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2o2l s SER 95 N -0.13 6.62 0.03 6.41 0.15 -0.85 -1.89 113.70 124.04 2o2l s SER 95 Ca 0.58 0.73 -0.30 0.00 0.70 0.00 0.00 55.95 57.66 2o2l s SER 95 Cb -0.57 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 61.48 2o2l s SER 95 CO 0.59 0.19 1.12 -0.63 1.20 0.00 0.00 173.24 175.71 2o2l s ILE 96 N -0.20 4.35 -0.18 6.45 1.01 -0.38 -0.45 121.20 131.79 2o2l s ILE 96 Ca 0.21 1.68 0.05 0.00 0.00 0.00 0.00 60.65 62.59 2o2l s ILE 96 Cb -0.15 -4.08 -0.14 0.00 0.01 0.00 0.00 42.46 38.10 2o2l s ILE 96 CO 0.09 0.12 -0.12 0.00 0.00 0.00 0.00 174.94 175.03 2o2l n ALA 97 N 4.01 1.59 -3.19 9.38 0.00 0.85 -4.89 120.51 128.26 2o2l n ALA 97 Ca 0.08 -0.88 -0.12 0.00 0.00 0.00 0.00 53.44 52.52 2o2l n ALA 97 Cb 0.48 0.02 -0.05 0.00 0.00 0.00 0.00 19.45 19.90 2o2l n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2o2l s ALA 98 N -2.39 -1.17 0.03 0.00 0.00 -0.58 -4.97 121.76 112.68 2o2l s ALA 98 Ca -0.22 0.33 0.03 0.00 0.00 0.00 0.00 51.96 52.10 2o2l s ALA 98 Cb 0.06 0.52 -0.02 0.00 0.00 0.00 0.00 23.12 23.68 2o2l s ALA 98 CO 0.50 -0.56 -0.08 -1.50 0.00 0.00 0.00 175.76 174.11 2o2l s ILE 99 N -2.98 0.61 0.03 0.00 2.07 -1.26 -0.17 121.20 119.48 2o2l s ILE 99 Ca -0.02 -0.90 0.02 0.00 -1.41 0.00 0.00 60.65 58.34 2o2l s ILE 99 Cb 0.00 -0.62 -0.02 0.00 0.13 0.00 0.00 42.46 41.95 2o2l s ILE 99 CO -0.06 -0.22 -0.07 -0.94 -1.91 0.00 0.00 174.94 171.74 2o2l s SER 100 N -1.22 0.75 -0.01 4.50 1.04 -0.35 -5.00 113.70 113.40 2o2l s SER 100 Ca -0.06 -0.40 0.02 0.00 0.48 0.00 0.00 55.95 55.99 2o2l s SER 100 Cb -0.08 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.04 2o2l s SER 100 CO 0.00 -0.12 -0.07 -0.04 0.98 0.00 0.00 173.24 173.99 2o2l s MET 101 N -1.11 0.56 -0.00 4.02 -1.94 -1.26 -0.17 119.30 119.40 2o2l s MET 101 Ca -0.06 -0.25 0.06 0.00 -1.71 0.00 0.00 55.69 53.73 2o2l s MET 101 Cb -0.07 -0.54 -0.02 0.00 2.01 0.00 0.00 34.83 36.21 2o2l s MET 101 CO 0.00 0.15 -0.18 -2.00 -0.01 0.00 0.00 175.02 172.98 2o2l s GLU 102 N -0.16 1.44 0.00 2.03 2.12 -1.26 -4.91 118.70 117.96 2o2l s GLU 102 Ca 0.03 -0.70 0.04 0.00 0.36 0.00 0.00 54.97 54.70 2o2l s GLU 102 Cb -0.03 -1.41 0.03 0.00 0.26 0.00 0.00 34.13 32.98 2o2l s GLU 102 CO -0.00 0.38 0.62 1.17 -0.54 0.00 0.00 175.26 176.89