#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 3.36 0.00 0.00 0.04 -1.26 -4.97 135.00 132.17 2o2l s PRO 2 Ca 0.00 1.21 0.10 0.00 0.04 0.00 0.00 61.00 62.35 2o2l s PRO 2 Cb 0.00 -2.04 0.23 0.00 0.04 0.00 0.00 34.50 32.73 2o2l s PRO 2 CO 0.00 -0.78 1.13 1.04 0.04 0.00 0.00 177.00 178.43 2o2l n GLN 3 N -1.95 2.24 -3.53 4.56 6.02 -1.26 -4.95 117.38 118.51 2o2l n GLN 3 Ca 0.09 -1.78 -0.14 0.00 -0.01 0.00 0.00 57.00 55.16 2o2l n GLN 3 Cb 0.53 -1.24 -0.04 0.00 1.02 0.00 0.00 30.24 30.51 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 -0.97 -0.49 0.36 1.08 1.04 -1.26 -5.04 113.70 108.42 2o2l s SER 4 Ca 0.19 0.16 0.06 0.00 0.48 0.00 0.00 55.95 56.84 2o2l s SER 4 Cb 0.11 0.53 0.67 0.00 0.10 0.00 0.00 66.02 67.42 2o2l s SER 4 CO 0.14 -0.79 1.90 -0.29 0.98 0.00 0.00 173.24 175.18 2o2l h ILE 5 N 2.56 1.19 -0.13 -1.02 2.10 -1.96 -0.61 117.51 119.63 2o2l h ILE 5 Ca -0.31 -0.75 -0.03 0.00 1.08 0.00 0.00 64.86 64.84 2o2l h ILE 5 Cb 1.23 1.00 -0.00 0.00 -1.09 0.00 0.00 36.82 37.96 2o2l h ILE 5 CO 0.40 0.25 -0.05 0.74 -1.08 0.00 0.00 178.15 178.42 2o2l h THR 6 N 0.43 1.31 -0.32 2.19 2.02 -1.98 0.32 112.91 116.88 2o2l h THR 6 Ca 0.09 -1.04 0.06 0.00 0.77 0.00 0.00 66.41 66.29 2o2l h THR 6 Cb 0.32 1.73 -0.06 0.00 -1.74 0.00 0.00 68.15 68.40 2o2l h THR 6 CO 0.01 0.30 -0.07 -0.33 0.37 0.00 0.00 175.52 175.80 2o2l h GLU 7 N -0.07 0.01 -0.05 6.66 5.08 -1.91 -1.23 114.58 123.07 2o2l h GLU 7 Ca 0.03 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2o2l h GLU 7 Cb 0.49 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2o2l h GLU 7 CO 0.02 0.01 -0.02 1.25 -1.00 0.00 0.00 179.01 179.26 2o2l h LEU 8 N 0.01 -0.08 -0.61 1.33 6.46 -0.97 -2.94 115.31 118.51 2o2l h LEU 8 Ca 0.15 0.02 0.10 0.00 -0.12 0.00 0.00 57.88 58.03 2o2l h LEU 8 Cb 0.23 0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 40.13 2o2l h LEU 8 CO -0.32 -0.03 0.21 0.00 -0.62 0.00 0.00 178.44 177.68 2o2l n SER 10 N -5.02 0.00 0.02 0.00 3.41 -0.49 -1.89 113.62 109.65 2o2l n SER 10 Ca 0.09 -0.01 0.11 0.00 -0.26 0.00 0.00 58.87 58.80 2o2l n SER 10 Cb 0.28 -0.29 0.49 0.00 -0.26 0.00 0.00 64.21 64.43 2o2l n SER 10 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2o2l n GLU 11 N -1.29 0.03 -4.45 4.33 1.02 -0.82 -4.90 120.64 114.57 2o2l n GLU 11 Ca 0.10 0.13 -0.25 0.00 -0.02 0.00 0.00 57.16 57.12 2o2l n GLU 11 Cb 0.17 -1.55 -0.11 0.00 -0.02 0.00 0.00 31.44 29.94 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 -3.03 2.30 0.17 -0.32 1.51 -0.79 -5.15 117.35 112.04 2o2l s TYR 12 Ca 0.11 -0.34 0.03 0.00 -1.01 0.00 0.00 57.07 55.86 2o2l s TYR 12 Cb 0.15 -1.06 -0.04 0.00 -0.11 0.00 0.00 41.96 40.90 2o2l s TYR 12 CO 0.44 0.62 0.26 -1.01 -1.11 0.00 0.00 175.55 174.75 2o2l s HIS 13 N -2.11 3.40 -1.67 2.71 3.76 -1.26 -4.31 115.29 115.82 2o2l s HIS 13 Ca 0.26 0.07 0.00 0.00 -0.15 0.00 0.00 55.06 55.23 2o2l s HIS 13 Cb -0.06 -1.62 0.00 0.00 1.11 0.00 0.00 32.58 32.01 2o2l s HIS 13 CO 0.13 0.51 0.00 0.09 -0.85 0.00 0.00 174.74 174.61 2o2l n ASN 14 N -0.63 -5.03 -4.72 1.40 3.02 -1.26 -4.97 115.26 103.07 2o2l n ASN 14 Ca -0.07 0.39 -0.24 0.00 -0.03 0.00 0.00 54.58 54.62 2o2l n ASN 14 Cb 0.55 -3.91 -0.06 0.00 -0.61 0.00 0.00 39.78 35.74 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 -2.54 3.92 -0.17 3.41 -4.23 -1.26 0.11 115.64 114.89 2o2l s THR 15 Ca 0.00 -1.51 -0.14 0.00 -1.18 0.00 0.00 61.69 58.86 2o2l s THR 15 Cb 0.00 -3.05 0.05 0.00 1.34 0.00 0.00 72.50 70.84 2o2l s THR 15 CO 0.00 -0.24 0.44 -1.58 -0.54 0.00 0.00 174.62 172.70 2o2l s GLN 16 N -3.39 0.49 -0.01 3.99 0.74 -0.32 -4.90 119.66 116.26 2o2l s GLN 16 Ca 0.30 0.69 -0.28 0.00 0.05 0.00 0.00 55.36 56.12 2o2l s GLN 16 Cb -0.08 0.17 -0.04 0.00 1.10 0.00 0.00 33.01 34.17 2o2l s GLN 16 CO 0.21 -0.09 0.88 0.42 -0.55 0.00 0.00 175.29 176.16 2o2l s ILE 17 N 0.60 4.88 -0.22 -2.34 -1.09 -1.26 -1.27 121.20 120.50 2o2l s ILE 17 Ca -0.03 1.85 -0.05 0.00 -2.23 0.00 0.00 60.65 60.19 2o2l s ILE 17 Cb -0.05 -4.22 -0.02 0.00 -1.58 0.00 0.00 42.46 36.59 2o2l s ILE 17 CO -0.04 0.21 -0.01 -0.31 -1.23 0.00 0.00 174.94 173.57 2o2l s TYR 18 N 0.79 3.00 -0.15 3.97 1.51 -0.03 -5.00 117.35 121.44 2o2l s TYR 18 Ca 0.46 -0.74 -0.29 0.00 -1.01 0.00 0.00 57.07 55.49 2o2l s TYR 18 Cb -0.20 -2.13 -0.02 0.00 -0.11 0.00 0.00 41.96 39.50 2o2l s TYR 18 CO 0.25 -0.46 1.23 0.99 -1.11 0.00 0.00 175.55 176.45 2o2l s THR 19 N 1.44 4.31 -0.22 -0.71 2.01 -1.26 -0.84 115.64 120.37 2o2l s THR 19 Ca 0.05 1.59 -0.14 0.00 0.31 0.00 0.00 61.69 63.50 2o2l s THR 19 Cb -0.14 -4.03 -0.09 0.00 0.01 0.00 0.00 72.50 68.25 2o2l s THR 19 CO -0.01 -0.11 -0.33 -0.38 -0.69 0.00 0.00 174.62 173.10 2o2l n ILE 20 N 5.22 1.43 -3.95 1.82 2.08 0.15 -4.97 119.36 121.13 2o2l n ILE 20 Ca 0.13 -0.18 -0.29 0.00 0.56 0.00 0.00 62.75 62.97 2o2l n ILE 20 Cb 0.45 -2.00 -0.01 0.00 -0.75 0.00 0.00 39.64 37.33 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 -4.23 -1.43 -3.53 4.38 5.15 0.77 -4.94 115.26 111.42 2o2l n ASN 21 Ca -0.38 -1.07 -0.07 0.00 -0.60 0.00 0.00 54.58 52.46 2o2l n ASN 21 Cb 0.73 -2.83 -0.02 0.00 -0.53 0.00 0.00 39.78 37.13 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 -4.13 -0.29 0.42 1.20 2.15 -0.80 -4.94 116.67 110.29 2o2l s ASP 22 Ca 0.13 0.00 -0.11 0.00 0.43 0.00 0.00 52.55 53.01 2o2l s ASP 22 Cb -0.06 0.30 -0.06 0.00 -0.30 0.00 0.00 42.92 42.80 2o2l s ASP 22 CO 0.90 -0.49 0.80 -1.59 -0.17 0.00 0.00 175.17 174.63 2o2l s LYS 23 N -2.86 3.78 0.26 4.34 -2.85 -1.26 -1.04 119.74 120.11 2o2l s LYS 23 Ca 0.06 0.51 -0.30 0.00 -1.00 0.00 0.00 55.97 55.25 2o2l s LYS 23 Cb -0.01 -2.36 -0.10 0.00 -2.06 0.00 0.00 37.83 33.30 2o2l s LYS 23 CO -0.07 -0.08 1.46 0.42 0.10 0.00 0.00 175.35 177.18 2o2l s ILE 24 N -2.43 2.54 -0.13 3.79 1.01 -1.26 -4.77 121.20 119.95 2o2l s ILE 24 Ca 0.52 0.46 -0.14 0.00 0.00 0.00 0.00 60.65 61.49 2o2l s ILE 24 Cb -0.10 -3.29 -0.12 0.00 0.01 0.00 0.00 42.46 38.95 2o2l s ILE 24 CO 0.32 0.08 0.32 0.25 0.00 0.00 0.00 174.94 175.91 2o2l h LEU 25 N 4.86 0.00 -8.22 2.97 5.85 -0.24 -3.47 115.31 117.06 2o2l h LEU 25 Ca -0.46 -0.45 -0.48 0.00 0.84 0.00 0.00 57.88 57.33 2o2l h LEU 25 Cb 1.22 0.00 -0.29 0.00 0.37 0.00 0.00 40.66 41.96 2o2l h LEU 25 CO 0.77 0.81 -0.81 -0.94 -0.34 0.00 0.00 178.44 177.93 2o2l s SER 26 N -5.94 1.64 -0.20 1.25 1.04 -1.04 -4.96 113.70 105.48 2o2l s SER 26 Ca -0.11 -0.27 -0.02 0.00 0.48 0.00 0.00 55.95 56.02 2o2l s SER 26 Cb -0.01 -0.17 -0.00 0.00 0.10 0.00 0.00 66.02 65.94 2o2l s SER 26 CO 0.35 0.16 -0.10 -0.47 0.98 0.00 0.00 173.24 174.15 2o2l s TYR 27 N -0.38 2.88 -0.01 5.02 6.14 -1.26 -1.37 117.35 128.37 2o2l s TYR 27 Ca 0.05 -1.12 0.07 0.00 0.64 0.00 0.00 57.07 56.71 2o2l s TYR 27 Cb -0.06 -2.01 -0.02 0.00 0.42 0.00 0.00 41.96 40.29 2o2l s TYR 27 CO -0.00 -0.59 -0.22 0.99 0.64 0.00 0.00 175.55 176.37 2o2l s THR 28 N 1.27 2.41 -0.00 4.34 2.01 -0.19 -5.02 115.64 120.46 2o2l s THR 28 Ca 0.03 -1.07 0.02 0.00 0.31 0.00 0.00 61.69 60.98 2o2l s THR 28 Cb -0.14 -1.90 -0.00 0.00 0.01 0.00 0.00 72.50 70.46 2o2l s THR 28 CO -0.05 0.52 -0.05 -0.70 -0.69 0.00 0.00 174.62 173.65 2o2l s GLU 29 N -0.84 0.41 -0.00 4.92 2.12 -1.26 -1.33 118.70 122.71 2o2l s GLU 29 Ca 0.11 -0.20 0.03 0.00 0.36 0.00 0.00 54.97 55.28 2o2l s GLU 29 Cb -0.10 -0.38 -0.01 0.00 0.26 0.00 0.00 34.13 33.90 2o2l s GLU 29 CO 0.01 0.10 -0.10 0.45 -0.54 0.00 0.00 175.26 175.18 2o2l s SER 30 N -0.17 1.20 -0.05 -1.70 0.15 -0.34 -5.00 113.70 107.79 2o2l s SER 30 Ca 0.01 -0.21 0.08 0.00 0.70 0.00 0.00 55.95 56.53 2o2l s SER 30 Cb -0.02 -0.12 0.12 0.00 -1.71 0.00 0.00 66.02 64.28 2o2l s SER 30 CO -0.00 0.11 1.02 1.15 1.20 0.00 0.00 173.24 176.72 2o2l n MET 31 N 2.73 1.90 -2.15 5.44 0.00 -1.26 -2.72 117.12 121.05 2o2l n MET 31 Ca -0.14 -1.83 -0.40 0.00 0.00 0.00 0.00 57.70 55.33 2o2l n MET 31 Cb 0.56 -1.13 -0.02 0.00 0.00 0.00 0.00 33.22 32.63 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 -1.62 3.38 0.10 3.17 0.00 -1.26 -4.86 121.76 120.66 2o2l s ALA 32 Ca 0.13 1.18 -0.34 0.00 0.00 0.00 0.00 51.96 52.93 2o2l s ALA 32 Cb 0.11 -3.45 -0.13 0.00 0.00 0.00 0.00 23.12 19.64 2o2l s ALA 32 CO 0.01 -0.63 1.65 0.41 0.00 0.00 0.00 175.76 177.20 2o2l n GLY 33 N 0.78 1.19 2.49 0.00 0.00 -1.26 -0.57 105.19 107.81 2o2l n GLY 33 Ca 0.01 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 4.18 -0.93 -2.69 1.61 4.76 -1.26 -4.82 118.16 119.01 2o2l n LYS 34 Ca 0.18 0.23 -0.08 0.00 -2.87 0.00 0.00 58.31 55.78 2o2l n LYS 34 Cb 0.29 -3.94 0.03 0.00 -1.84 0.00 0.00 35.03 29.57 2o2l n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2o2l n ARG 35 N -1.12 1.54 -2.80 1.97 5.12 0.26 -4.98 116.66 116.65 2o2l n ARG 35 Ca 0.00 -3.44 -0.43 0.00 -1.93 0.00 0.00 57.85 52.05 2o2l n ARG 35 Cb 0.23 -1.45 -0.03 0.00 -1.16 0.00 0.00 32.46 30.05 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 -3.38 3.55 0.26 5.56 8.01 -1.17 -4.16 118.70 127.37 2o2l s GLU 36 Ca 0.29 -1.46 -0.06 0.00 0.01 0.00 0.00 54.97 53.76 2o2l s GLU 36 Cb 0.41 -4.99 -0.02 0.00 -4.31 0.00 0.00 34.13 25.22 2o2l s GLU 36 CO 0.00 -1.92 0.35 0.00 0.01 0.00 0.00 175.26 173.70 2o2l s MET 37 N 3.58 1.52 -0.04 1.61 0.23 -1.10 -4.08 119.30 121.02 2o2l s MET 37 Ca 0.36 -1.52 0.04 0.00 -1.03 0.00 0.00 55.69 53.54 2o2l s MET 37 Cb -0.04 0.39 -0.00 0.00 -1.53 0.00 0.00 34.83 33.65 2o2l s MET 37 CO -0.08 -0.59 -0.16 0.08 -2.03 0.00 0.00 175.02 172.24 2o2l s VAL 38 N -3.83 1.32 -0.08 5.16 1.01 -1.18 -1.19 120.40 121.60 2o2l s VAL 38 Ca 0.31 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.66 2o2l s VAL 38 Cb 0.02 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 2o2l s VAL 38 CO 0.13 0.38 -0.19 -0.63 0.00 0.00 0.00 175.10 174.80 2o2l s ILE 39 N 0.07 2.58 0.31 2.22 1.01 -0.44 -1.20 121.20 125.75 2o2l s ILE 39 Ca -0.04 -0.86 0.11 0.00 0.00 0.00 0.00 60.65 59.86 2o2l s ILE 39 Cb -0.11 -2.01 -0.06 0.00 0.01 0.00 0.00 42.46 40.29 2o2l s ILE 39 CO 0.02 0.56 -0.12 0.27 0.00 0.00 0.00 174.94 175.67 2o2l s ILE 40 N -0.06 2.48 0.03 2.92 -4.36 0.49 -1.02 121.20 121.68 2o2l s ILE 40 Ca -0.05 -2.25 0.01 0.00 -0.26 0.00 0.00 60.65 58.10 2o2l s ILE 40 Cb -0.14 -2.53 -0.02 0.00 1.25 0.00 0.00 42.46 41.02 2o2l s ILE 40 CO 0.04 -0.30 -0.05 -0.89 0.24 0.00 0.00 174.94 173.98 2o2l s THR 41 N -2.54 0.31 0.15 8.37 2.01 -0.47 -0.71 115.64 122.75 2o2l s THR 41 Ca 0.32 -0.93 0.07 0.00 0.31 0.00 0.00 61.69 61.45 2o2l s THR 41 Cb -0.02 -0.41 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 2o2l s THR 41 CO 0.16 -0.41 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.17 2o2l s PHE 42 N -1.33 1.57 -0.53 4.92 0.08 -0.12 0.54 117.98 123.11 2o2l s PHE 42 Ca -0.12 -0.54 0.23 0.00 0.12 0.00 0.00 56.93 56.62 2o2l s PHE 42 Cb -0.09 -0.80 0.94 0.00 -0.57 0.00 0.00 43.02 42.51 2o2l s PHE 42 CO -0.00 0.23 1.69 0.36 -0.10 0.00 0.00 175.22 177.39 2o2l n LYS 43 N 0.32 0.18 0.08 0.44 2.85 -1.26 -1.48 118.16 119.29 2o2l n LYS 43 Ca -0.14 0.40 0.07 0.00 -1.05 0.00 0.00 58.31 57.59 2o2l n LYS 43 Cb 0.57 -1.84 0.33 0.00 -0.65 0.00 0.00 35.03 33.45 2o2l n LYS 43 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2o2l n SER 44 N -2.17 0.31 0.00 -5.58 3.41 -1.26 -4.84 113.62 103.50 2o2l n SER 44 Ca 0.02 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 2o2l n SER 44 Cb 0.23 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 2o2l n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2o2l n GLY 45 N -1.10 2.45 3.72 5.00 0.00 -0.55 -5.07 105.19 109.63 2o2l n GLY 45 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.56 3.80 -0.07 4.61 0.00 -1.23 -4.82 121.76 121.48 2o2l s ALA 46 Ca 0.00 1.39 0.04 0.00 0.00 0.00 0.00 51.96 53.40 2o2l s ALA 46 Cb 0.00 -3.64 -0.01 0.00 0.00 0.00 0.00 23.12 19.47 2o2l s ALA 46 CO 0.00 -0.83 -0.20 0.99 0.00 0.00 0.00 175.76 175.72 2o2l s THR 47 N 1.27 2.46 0.13 0.00 2.01 -1.26 -0.94 115.64 119.31 2o2l s THR 47 Ca 0.71 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.83 2o2l s THR 47 Cb -0.44 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 2o2l s THR 47 CO 0.31 0.57 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.38 2o2l s PHE 48 N -0.16 1.10 0.07 4.92 0.08 0.11 -4.11 117.98 119.99 2o2l s PHE 48 Ca -0.02 -0.86 0.07 0.00 0.12 0.00 0.00 56.93 56.24 2o2l s PHE 48 Cb -0.14 -0.60 -0.03 0.00 -0.57 0.00 0.00 43.02 41.69 2o2l s PHE 48 CO 0.04 -0.06 -0.20 1.14 -0.10 0.00 0.00 175.22 176.04 2o2l s GLN 49 N -3.81 1.19 -0.14 0.44 -2.07 -0.47 -0.38 119.66 114.43 2o2l s GLN 49 Ca 0.16 -1.04 -0.16 0.00 -1.82 0.00 0.00 55.36 52.49 2o2l s GLN 49 Cb 0.04 -1.37 -0.04 0.00 -1.09 0.00 0.00 33.01 30.55 2o2l s GLN 49 CO -0.01 0.33 0.40 0.08 -1.32 0.00 0.00 175.29 174.77 2o2l s VAL 50 N -1.00 5.23 0.60 3.63 1.01 -0.34 0.06 120.40 129.57 2o2l s VAL 50 Ca 0.06 0.79 -0.16 0.00 0.00 0.00 0.00 61.98 62.67 2o2l s VAL 50 Cb -0.09 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 2o2l s VAL 50 CO 0.03 0.34 1.07 -1.61 0.00 0.00 0.00 175.10 174.93 2o2l s GLU 51 N 0.66 3.24 0.21 2.72 2.02 -1.26 -3.13 118.70 123.16 2o2l s GLU 51 Ca 0.22 1.27 -0.32 0.00 0.02 0.00 0.00 54.97 56.16 2o2l s GLU 51 Cb -0.14 -2.02 -0.12 0.00 0.10 0.00 0.00 34.13 31.95 2o2l s GLU 51 CO 0.08 -0.88 1.68 0.08 0.02 0.00 0.00 175.26 176.24 2o2l s VAL 52 N -2.37 2.13 0.37 2.63 1.01 -1.26 -4.82 120.40 118.09 2o2l s VAL 52 Ca 0.65 0.09 -0.27 0.00 0.00 0.00 0.00 61.98 62.45 2o2l s VAL 52 Cb -0.17 -3.06 -0.09 0.00 0.00 0.00 0.00 36.38 33.05 2o2l s VAL 52 CO 0.36 0.01 1.26 -2.84 0.00 0.00 0.00 175.10 173.89 2o2l s PRO 53 N 0.97 4.17 0.00 2.72 0.02 -1.26 -5.07 135.00 136.55 2o2l s PRO 53 Ca 0.73 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.83 2o2l s PRO 53 Cb -0.49 -2.88 0.00 0.00 0.02 0.00 0.00 34.50 31.16 2o2l s PRO 53 CO 0.34 -0.30 0.00 0.41 -0.33 0.00 0.00 177.00 177.12 2o2l n GLY 54 N 0.74 3.66 0.94 0.52 0.00 -1.26 -5.05 105.19 104.75 2o2l n GLY 54 Ca 0.02 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.52 2o2l n GLY 54 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2o2l n HIS 57 N -1.86 0.00 -1.24 1.61 -0.00 -1.26 -5.15 115.22 107.33 2o2l n HIS 57 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.41 2o2l n HIS 57 Cb 0.00 -1.32 0.10 0.00 -0.00 0.00 0.00 29.99 28.77 2o2l n HIS 57 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.34 177.30 2o2l s ILE 58 N 0.00 3.24 0.29 1.59 -4.36 -1.26 -4.93 121.20 115.77 2o2l s ILE 58 Ca 0.00 0.40 0.22 0.00 -0.26 0.00 0.00 60.65 61.01 2o2l s ILE 58 Cb 0.00 -2.88 0.21 0.00 1.25 0.00 0.00 42.46 41.04 2o2l s ILE 58 CO 0.00 -0.53 1.90 0.44 0.24 0.00 0.00 174.94 176.99 2o2l h ASP 59 N -1.18 0.00 0.21 4.36 3.32 -2.02 -0.30 116.42 120.81 2o2l h ASP 59 Ca -0.44 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.58 2o2l h ASP 59 Cb 1.24 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 2o2l h ASP 59 CO 0.51 0.24 -0.16 0.77 -1.72 0.00 0.00 179.24 178.89 2o2l h SER 60 N 0.00 0.00 1.49 6.45 4.64 -2.03 -2.81 113.55 121.29 2o2l h SER 60 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2o2l h SER 60 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2o2l h SER 60 CO 0.03 0.16 0.00 1.56 -0.87 0.00 0.00 176.83 177.71 2o2l h GLN 61 N 0.00 0.00 -0.30 4.77 4.20 -1.41 -3.31 115.11 119.06 2o2l h GLN 61 Ca -0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.53 2o2l h GLN 61 Cb 0.31 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 2o2l h GLN 61 CO 0.02 0.00 -0.49 0.87 -0.67 0.00 0.00 178.83 178.56 2o2l h LYS 62 N 0.00 0.87 -0.29 1.46 1.57 -1.52 0.12 116.57 118.78 2o2l h LYS 62 Ca 0.00 -0.53 -0.09 0.00 -1.87 0.00 0.00 60.65 58.16 2o2l h LYS 62 Cb 0.75 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 2o2l h LYS 62 CO 0.00 1.17 -0.18 0.87 -0.57 0.00 0.00 179.45 180.73 2o2l h LYS 63 N 0.66 0.53 -0.12 3.15 1.57 -1.72 -3.07 116.57 117.57 2o2l h LYS 63 Ca 0.02 -0.18 -0.15 0.00 -1.87 0.00 0.00 60.65 58.48 2o2l h LYS 63 Cb 1.10 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 2o2l h LYS 63 CO 0.11 0.69 -0.57 0.00 -0.57 0.00 0.00 179.45 179.11 2o2l h ALA 64 N 1.33 0.79 -0.40 3.86 0.00 -1.53 -0.88 119.26 122.42 2o2l h ALA 64 Ca 0.08 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2o2l h ALA 64 Cb 0.59 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2o2l h ALA 64 CO 0.04 0.70 0.24 0.82 0.00 0.00 0.00 179.25 181.05 2o2l h ILE 65 N 0.30 1.13 -0.73 0.00 2.04 -0.77 -0.57 117.51 118.91 2o2l h ILE 65 Ca 0.00 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 2o2l h ILE 65 Cb 1.09 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 2o2l h ILE 65 CO 0.10 0.13 0.41 -0.33 0.00 0.00 0.00 178.15 178.45 2o2l h GLU 66 N 0.53 1.01 -0.46 2.37 4.39 -1.43 -1.65 114.58 119.34 2o2l h GLU 66 Ca 0.14 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 2o2l h GLU 66 Cb -0.00 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.43 2o2l h GLU 66 CO -0.03 0.75 0.20 -0.09 -1.16 0.00 0.00 179.01 178.68 2o2l h ARG 67 N 1.01 0.69 -0.70 2.33 2.43 -0.81 -1.36 114.38 117.96 2o2l h ARG 67 Ca 0.26 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2o2l h ARG 67 Cb 0.03 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 2o2l h ARG 67 CO -0.04 0.61 0.41 1.98 -1.51 0.00 0.00 179.97 181.42 2o2l h MET 68 N 0.61 0.96 -0.66 0.20 4.05 -0.88 0.13 114.93 119.33 2o2l h MET 68 Ca 0.16 -0.09 0.06 0.00 -0.28 0.00 0.00 59.70 59.54 2o2l h MET 68 Cb 0.17 -0.20 -0.05 0.00 -0.80 0.00 0.00 31.60 30.72 2o2l h MET 68 CO -0.02 0.69 0.37 0.87 0.23 0.00 0.00 176.91 179.05 2o2l h LYS 69 N 0.96 0.67 -0.57 0.39 1.57 -0.99 -0.99 116.57 117.59 2o2l h LYS 69 Ca 0.25 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.03 2o2l h LYS 69 Cb -0.02 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.10 2o2l h LYS 69 CO -0.05 0.44 0.33 -0.44 -0.57 0.00 0.00 179.45 179.17 2o2l h ASP 70 N 0.69 0.52 -0.59 0.86 3.32 -0.04 -2.73 116.42 118.43 2o2l h ASP 70 Ca 0.29 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.27 2o2l h ASP 70 Cb 0.17 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 2o2l h ASP 70 CO -0.17 0.36 0.03 0.74 -1.72 0.00 0.00 179.24 178.47 2o2l h THR 71 N 0.64 1.26 -0.20 0.35 2.02 -0.02 -2.26 112.91 114.70 2o2l h THR 71 Ca 0.24 -1.11 -0.05 0.00 0.77 0.00 0.00 66.41 66.27 2o2l h THR 71 Cb 0.08 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 2o2l h THR 71 CO -0.13 0.40 -0.06 -0.07 0.37 0.00 0.00 175.52 176.03 2o2l h LEU 72 N 0.93 0.41 0.42 2.58 3.38 -1.13 -0.02 115.31 121.87 2o2l h LEU 72 Ca 0.17 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2o2l h LEU 72 Cb 0.52 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2o2l h LEU 72 CO 0.03 0.69 -0.45 -0.09 0.09 0.00 0.00 178.44 178.71 2o2l h ARG 73 N 0.12 -0.86 0.00 1.13 2.43 -1.45 0.21 114.38 115.96 2o2l h ARG 73 Ca 0.05 0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 2o2l h ARG 73 Cb 0.52 0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2o2l h ARG 73 CO 0.02 -0.57 -0.15 0.97 -1.51 0.00 0.00 179.97 178.73 2o2l h ILE 74 N -0.89 0.92 -0.01 1.20 6.09 -1.40 -0.10 117.51 123.32 2o2l h ILE 74 Ca -0.04 -0.56 -0.01 0.00 -1.37 0.00 0.00 64.86 62.88 2o2l h ILE 74 Cb 0.79 1.32 -0.00 0.00 0.47 0.00 0.00 36.82 39.40 2o2l h ILE 74 CO -0.08 0.15 -0.02 0.74 -3.07 0.00 0.00 178.15 175.87 2o2l h THR 75 N 0.00 1.42 -0.24 2.19 2.02 -0.60 -2.06 112.91 115.64 2o2l h THR 75 Ca -0.00 -1.26 0.05 0.00 0.77 0.00 0.00 66.41 65.97 2o2l h THR 75 Cb 0.31 2.25 -0.05 0.00 -1.74 0.00 0.00 68.15 68.91 2o2l h THR 75 CO 0.02 0.33 -0.11 0.22 0.37 0.00 0.00 175.52 176.36 2o2l h TYR 76 N -0.49 -0.25 -0.22 3.16 3.20 0.09 -1.19 116.97 121.27 2o2l h TYR 76 Ca 0.00 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 2o2l h TYR 76 Cb 0.55 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 2o2l h TYR 76 CO 0.11 -0.17 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.23 2o2l h LEU 77 N -0.07 0.37 -0.32 2.82 3.38 -1.02 -1.73 115.31 118.75 2o2l h LEU 77 Ca 0.13 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2o2l h LEU 77 Cb 0.26 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2o2l h LEU 77 CO -0.29 0.56 -0.18 0.35 0.09 0.00 0.00 178.44 178.97 2o2l n THR 78 N -4.20 0.00 -3.31 0.22 -2.24 -0.78 -4.94 114.28 99.03 2o2l n THR 78 Ca -0.00 -0.08 -0.23 0.00 -2.27 0.00 0.00 64.05 61.46 2o2l n THR 78 Cb 0.33 0.09 0.06 0.00 -2.10 0.00 0.00 70.33 68.71 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 -0.87 -6.36 -2.64 -0.78 1.02 -0.53 -4.95 120.64 105.52 2o2l n GLU 79 Ca 0.13 0.87 -0.41 0.00 -0.02 0.00 0.00 57.16 57.73 2o2l n GLU 79 Cb 0.31 -5.82 -0.05 0.00 -0.02 0.00 0.00 31.44 25.86 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 -3.25 4.11 -0.13 2.62 2.01 -0.71 -4.81 115.64 115.48 2o2l s THR 80 Ca 0.45 1.88 -0.29 0.00 0.31 0.00 0.00 61.69 64.03 2o2l s THR 80 Cb -0.20 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.09 2o2l s THR 80 CO 0.55 0.35 1.26 -0.75 -0.69 0.00 0.00 174.62 175.34 2o2l s LYS 81 N -0.51 4.26 -0.07 4.92 2.20 -1.26 -4.40 119.74 124.88 2o2l s LYS 81 Ca 0.46 1.68 -0.22 0.00 -0.36 0.00 0.00 55.97 57.53 2o2l s LYS 81 Cb -0.27 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 32.30 2o2l s LYS 81 CO 0.33 -0.65 0.65 0.42 -0.36 0.00 0.00 175.35 175.75 2o2l s ILE 82 N 3.18 5.07 0.00 5.43 1.01 -0.21 -3.92 121.20 131.76 2o2l s ILE 82 Ca 0.56 1.34 0.00 0.00 0.00 0.00 0.00 60.65 62.55 2o2l s ILE 82 Cb -0.23 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.25 2o2l s ILE 82 CO 0.17 0.27 0.13 -0.67 0.00 0.00 0.00 174.94 174.84 2o2l n ASP 83 N 3.73 0.00 -4.09 3.58 2.03 -0.07 -0.16 116.55 121.57 2o2l n ASP 83 Ca -0.02 0.53 -0.14 0.00 0.52 0.00 0.00 54.79 55.67 2o2l n ASP 83 Cb 0.51 -0.46 -0.12 0.00 -0.72 0.00 0.00 41.12 40.34 2o2l n ASP 83 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2o2l s LYS 84 N -1.19 0.60 -0.09 -0.67 1.02 -1.18 0.29 119.74 118.52 2o2l s LYS 84 Ca 0.00 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.20 2o2l s LYS 84 Cb 0.00 -0.42 -0.03 0.00 -0.52 0.00 0.00 37.83 36.86 2o2l s LYS 84 CO 0.00 0.08 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.93 2o2l s LEU 85 N -1.58 3.11 -0.25 3.17 1.43 -0.02 -0.80 118.68 123.75 2o2l s LEU 85 Ca -0.08 -0.08 -0.09 0.00 -1.03 0.00 0.00 54.13 52.84 2o2l s LEU 85 Cb -0.10 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 2o2l s LEU 85 CO 0.01 0.31 0.13 0.00 0.23 0.00 0.00 176.35 177.03 2o2l s VAL 87 N 1.32 0.73 -0.15 0.00 -7.23 -0.40 -0.12 120.40 114.56 2o2l s VAL 87 Ca 0.06 -0.81 -0.27 0.00 -1.81 0.00 0.00 61.98 59.16 2o2l s VAL 87 Cb -0.15 -0.70 -0.01 0.00 0.56 0.00 0.00 36.38 36.08 2o2l s VAL 87 CO 0.06 -0.09 0.89 0.26 -0.31 0.00 0.00 175.10 175.91 2o2l s TRP 88 N -0.82 3.45 -2.11 2.82 0.51 0.55 -1.18 118.94 122.16 2o2l s TRP 88 Ca -0.02 1.37 0.19 0.00 -2.12 0.00 0.00 56.10 55.52 2o2l s TRP 88 Cb -0.07 -3.07 0.52 0.00 -0.81 0.00 0.00 33.47 30.05 2o2l s TRP 88 CO 0.01 -0.23 1.44 0.27 -0.51 0.00 0.00 176.95 177.92 2o2l n ASN 89 N 5.15 3.03 0.01 2.95 0.23 0.12 -2.13 115.26 124.62 2o2l n ASN 89 Ca 0.06 -1.97 0.12 0.00 -0.53 0.00 0.00 54.58 52.26 2o2l n ASN 89 Cb 0.49 -0.34 0.28 0.00 -2.08 0.00 0.00 39.78 38.13 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 1.17 0.47 -4.88 0.53 6.94 -1.26 -4.87 115.26 113.36 2o2l n ASN 90 Ca 0.19 -0.08 -0.24 0.00 -0.02 0.00 0.00 54.58 54.43 2o2l n ASN 90 Cb 0.49 0.13 -0.04 0.00 -2.36 0.00 0.00 39.78 38.01 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 -3.03 3.15 -0.13 -3.83 -0.14 -1.25 -5.11 119.74 109.39 2o2l s LYS 91 Ca 0.10 -0.83 -0.01 0.00 -1.36 0.00 0.00 55.97 53.88 2o2l s LYS 91 Cb 0.17 -2.75 0.03 0.00 -1.68 0.00 0.00 37.83 33.60 2o2l s LYS 91 CO 0.68 0.46 -0.06 0.99 -0.76 0.00 0.00 175.35 176.66 2o2l s THR 92 N -1.90 1.00 1.05 2.17 2.01 -1.26 -3.16 115.64 115.55 2o2l s THR 92 Ca 0.33 -0.41 -0.14 0.00 0.31 0.00 0.00 61.69 61.77 2o2l s THR 92 Cb -0.09 -1.11 0.21 0.00 0.01 0.00 0.00 72.50 71.51 2o2l s THR 92 CO 0.26 0.24 1.11 -2.16 -0.69 0.00 0.00 174.62 173.38 2o2l s PRO 93 N 1.70 0.04 0.38 4.92 0.04 -1.26 -5.07 135.00 135.75 2o2l s PRO 93 Ca 0.03 0.30 -0.28 0.00 0.04 0.00 0.00 61.00 61.09 2o2l s PRO 93 Cb -0.14 -1.71 -0.11 0.00 0.04 0.00 0.00 34.50 32.58 2o2l s PRO 93 CO -0.08 -2.95 1.48 0.09 0.04 0.00 0.00 177.00 175.59 2o2l n ASN 94 N -4.29 3.75 -4.77 6.66 5.03 -1.19 -4.55 115.26 115.91 2o2l n ASN 94 Ca 0.07 1.22 -0.36 0.00 0.87 0.00 0.00 54.58 56.38 2o2l n ASN 94 Cb 0.58 -1.62 -0.07 0.00 -1.02 0.00 0.00 39.78 37.65 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 -0.16 6.39 -0.00 6.41 0.15 -0.90 -1.36 113.70 124.22 2o2l s SER 95 Ca 0.54 0.46 -0.30 0.00 0.70 0.00 0.00 55.95 57.34 2o2l s SER 95 Cb -0.47 -2.14 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 2o2l s SER 95 CO 0.63 0.20 1.10 -0.63 1.20 0.00 0.00 173.24 175.75 2o2l s ILE 96 N 0.01 4.46 -0.19 6.45 1.01 0.11 -0.33 121.20 132.72 2o2l s ILE 96 Ca 0.14 1.76 -0.02 0.00 0.00 0.00 0.00 60.65 62.54 2o2l s ILE 96 Cb -0.13 -4.13 -0.11 0.00 0.01 0.00 0.00 42.46 38.10 2o2l s ILE 96 CO 0.03 0.10 -0.19 0.00 0.00 0.00 0.00 174.94 174.88 2o2l n ALA 97 N 4.28 1.64 -2.47 9.38 0.00 0.83 -4.86 120.51 129.31 2o2l n ALA 97 Ca 0.08 -0.79 -0.08 0.00 0.00 0.00 0.00 53.44 52.65 2o2l n ALA 97 Cb 0.48 0.12 -0.08 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.37 -0.04 0.01 0.00 0.00 -0.66 -4.98 121.76 113.73 2o2l s ALA 98 Ca -0.26 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 50.98 2o2l s ALA 98 Cb 0.08 0.40 -0.01 0.00 0.00 0.00 0.00 23.12 23.59 2o2l s ALA 98 CO 0.40 -0.45 -0.06 -1.50 0.00 0.00 0.00 175.76 174.15 2o2l s ILE 99 N -3.70 0.43 0.08 0.00 2.07 -1.26 -0.91 121.20 117.91 2o2l s ILE 99 Ca 0.04 -0.45 0.06 0.00 -1.41 0.00 0.00 60.65 58.90 2o2l s ILE 99 Cb 0.05 -0.40 -0.03 0.00 0.13 0.00 0.00 42.46 42.20 2o2l s ILE 99 CO -0.10 -0.02 -0.16 -0.94 -1.91 0.00 0.00 174.94 171.81 2o2l s SER 100 N -0.51 1.95 -0.01 4.50 1.04 0.02 -5.01 113.70 115.67 2o2l s SER 100 Ca -0.01 -0.65 -0.02 0.00 0.48 0.00 0.00 55.95 55.75 2o2l s SER 100 Cb -0.04 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.00 2o2l s SER 100 CO -0.00 -0.04 0.05 -0.04 0.98 0.00 0.00 173.24 174.19 2o2l s MET 101 N -1.85 0.12 -0.03 4.02 1.00 -1.26 -0.89 119.30 120.40 2o2l s MET 101 Ca 0.01 -0.04 0.01 0.00 0.00 0.00 0.00 55.69 55.68 2o2l s MET 101 Cb -0.10 0.05 0.01 0.00 0.00 0.00 0.00 34.83 34.80 2o2l s MET 101 CO 0.03 -0.02 -0.05 -2.00 0.00 0.00 0.00 175.02 172.98 2o2l s GLU 102 N -0.24 0.69 0.00 2.03 2.12 -1.25 -4.85 118.70 117.20 2o2l s GLU 102 Ca -0.03 -0.15 0.00 0.00 0.36 0.00 0.00 54.97 55.15 2o2l s GLU 102 Cb -0.02 -0.69 0.00 0.00 0.26 0.00 0.00 34.13 33.68 2o2l s GLU 102 CO 0.00 0.01 0.00 1.17 -0.54 0.00 0.00 175.26 175.90