#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 1.82 0.00 0.00 0.04 -1.26 -4.99 135.00 130.61 2o2l s PRO 2 Ca 0.00 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.48 2o2l s PRO 2 Cb 0.00 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2o2l s PRO 2 CO 0.00 -2.02 0.55 1.04 0.04 0.00 0.00 177.00 176.61 2o2l n GLN 3 N -3.55 0.31 -3.87 4.56 6.02 -1.26 -4.97 117.38 114.62 2o2l n GLN 3 Ca 0.11 -0.68 -0.09 0.00 -0.01 0.00 0.00 57.00 56.32 2o2l n GLN 3 Cb 0.52 -0.87 -0.05 0.00 1.02 0.00 0.00 30.24 30.85 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 -0.26 -0.09 0.29 1.08 1.04 -1.26 -5.03 113.70 109.46 2o2l s SER 4 Ca 0.00 -0.70 -0.01 0.00 0.48 0.00 0.00 55.95 55.72 2o2l s SER 4 Cb 0.00 0.50 0.43 0.00 0.10 0.00 0.00 66.02 67.05 2o2l s SER 4 CO 0.00 -0.97 1.83 -0.29 0.98 0.00 0.00 173.24 174.79 2o2l h ILE 5 N 2.38 1.22 -0.34 -1.02 2.10 -1.96 -1.98 117.51 117.91 2o2l h ILE 5 Ca -0.30 -0.81 -0.13 0.00 1.08 0.00 0.00 64.86 64.70 2o2l h ILE 5 Cb 1.24 0.71 -0.01 0.00 -1.09 0.00 0.00 36.82 37.67 2o2l h ILE 5 CO 0.43 0.30 -0.31 0.74 -1.08 0.00 0.00 178.15 178.23 2o2l h THR 6 N 0.76 1.28 0.23 2.19 2.02 -1.99 -0.15 112.91 117.25 2o2l h THR 6 Ca 0.17 -1.45 -0.01 0.00 0.77 0.00 0.00 66.41 65.89 2o2l h THR 6 Cb 0.30 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 2o2l h THR 6 CO -0.00 0.47 -0.11 -0.08 0.37 0.00 0.00 175.52 176.17 2o2l h GLU 7 N 0.63 -0.30 -0.36 6.66 4.81 -1.94 -2.97 114.58 121.11 2o2l h GLU 7 Ca 0.07 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.40 2o2l h GLU 7 Cb 0.83 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 30.20 2o2l h GLU 7 CO 0.07 -0.04 -0.17 1.25 -0.73 0.00 0.00 179.01 179.39 2o2l h LEU 8 N -0.54 -0.58 -1.25 1.64 5.85 -1.17 -1.96 115.31 117.29 2o2l h LEU 8 Ca -0.03 0.14 0.16 0.00 0.84 0.00 0.00 57.88 58.99 2o2l h LEU 8 Cb 0.40 0.32 -0.08 0.00 0.37 0.00 0.00 40.66 41.67 2o2l h LEU 8 CO 0.05 -0.21 0.59 0.00 -0.34 0.00 0.00 178.44 178.54 2o2l n SER 10 N -4.59 0.20 -0.05 0.00 3.41 -0.74 -2.48 113.62 109.38 2o2l n SER 10 Ca 0.19 0.54 0.15 0.00 -0.26 0.00 0.00 58.87 59.49 2o2l n SER 10 Cb 0.53 -0.59 0.84 0.00 -0.26 0.00 0.00 64.21 64.73 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 -1.71 0.88 -4.97 4.33 1.02 -0.84 -4.87 120.64 114.47 2o2l n GLU 11 Ca 0.04 -0.09 -0.27 0.00 -0.02 0.00 0.00 57.16 56.82 2o2l n GLU 11 Cb 0.24 -1.50 -0.16 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 -2.18 1.79 0.54 -0.32 1.51 -1.03 -5.13 117.35 112.53 2o2l s TYR 12 Ca 0.41 -0.34 -0.17 0.00 -1.01 0.00 0.00 57.07 55.96 2o2l s TYR 12 Cb 0.21 -1.15 -0.06 0.00 -0.11 0.00 0.00 41.96 40.85 2o2l s TYR 12 CO 0.40 -0.04 1.02 -1.01 -1.11 0.00 0.00 175.55 174.82 2o2l s HIS 13 N -0.45 3.17 -1.56 2.71 3.76 -1.26 -4.01 115.29 117.65 2o2l s HIS 13 Ca 0.07 1.51 0.00 0.00 -0.15 0.00 0.00 55.06 56.49 2o2l s HIS 13 Cb -0.08 -2.93 0.00 0.00 1.11 0.00 0.00 32.58 30.68 2o2l s HIS 13 CO -0.01 -0.76 0.00 0.09 -0.85 0.00 0.00 174.74 173.21 2o2l n ASN 14 N -1.65 -5.44 -5.00 1.40 3.02 -1.26 -4.99 115.26 101.34 2o2l n ASN 14 Ca 0.08 0.36 -0.18 0.00 -0.03 0.00 0.00 54.58 54.81 2o2l n ASN 14 Cb 0.53 -4.23 0.01 0.00 -0.61 0.00 0.00 39.78 35.48 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 -2.32 3.34 -0.22 3.41 -4.23 -1.26 -1.29 115.64 113.08 2o2l s THR 15 Ca 0.00 -0.94 -0.18 0.00 -1.18 0.00 0.00 61.69 59.39 2o2l s THR 15 Cb 0.00 -3.15 0.06 0.00 1.34 0.00 0.00 72.50 70.75 2o2l s THR 15 CO 0.00 -0.06 0.57 -1.58 -0.54 0.00 0.00 174.62 173.01 2o2l s GLN 16 N -4.35 0.64 -0.11 3.99 0.74 0.12 -4.83 119.66 115.87 2o2l s GLN 16 Ca 0.52 0.88 -0.21 0.00 0.05 0.00 0.00 55.36 56.59 2o2l s GLN 16 Cb -0.10 0.24 -0.04 0.00 1.10 0.00 0.00 33.01 34.22 2o2l s GLN 16 CO 0.33 -0.10 0.62 0.42 -0.55 0.00 0.00 175.29 176.01 2o2l s ILE 17 N 0.71 5.08 -0.16 -2.34 -1.09 -1.26 -0.36 121.20 121.78 2o2l s ILE 17 Ca -0.03 1.25 -0.03 0.00 -2.23 0.00 0.00 60.65 59.61 2o2l s ILE 17 Cb -0.05 -3.96 -0.02 0.00 -1.58 0.00 0.00 42.46 36.86 2o2l s ILE 17 CO -0.05 0.25 -0.07 -0.31 -1.23 0.00 0.00 174.94 173.53 2o2l s TYR 18 N 0.95 2.93 -0.43 3.97 1.51 0.22 -4.99 117.35 121.51 2o2l s TYR 18 Ca 0.32 -0.58 -0.25 0.00 -1.01 0.00 0.00 57.07 55.55 2o2l s TYR 18 Cb -0.17 -1.96 0.02 0.00 -0.11 0.00 0.00 41.96 39.75 2o2l s TYR 18 CO 0.14 -0.23 0.91 0.99 -1.11 0.00 0.00 175.55 176.26 2o2l s THR 19 N 0.65 4.53 -0.20 -0.71 2.01 -1.26 -1.12 115.64 119.54 2o2l s THR 19 Ca -0.04 0.89 -0.20 0.00 0.31 0.00 0.00 61.69 62.64 2o2l s THR 19 Cb -0.15 -4.38 -0.17 0.00 0.01 0.00 0.00 72.50 67.80 2o2l s THR 19 CO 0.02 -0.71 0.19 0.40 -0.69 0.00 0.00 174.62 173.84 2o2l h ILE 20 N 5.98 0.84 -6.59 1.82 1.08 -1.16 -3.48 117.51 115.99 2o2l h ILE 20 Ca -0.24 -2.03 -0.52 0.00 -0.39 0.00 0.00 64.86 61.67 2o2l h ILE 20 Cb 1.08 1.99 -0.14 0.00 -3.07 0.00 0.00 36.82 36.68 2o2l h ILE 20 CO 1.00 0.29 -0.83 -3.20 -0.69 0.00 0.00 178.15 174.72 2o2l n ASN 21 N -4.47 -3.10 -3.49 1.72 5.15 -0.04 -4.91 115.26 106.12 2o2l n ASN 21 Ca -0.28 -0.95 -0.12 0.00 -0.60 0.00 0.00 54.58 52.63 2o2l n ASN 21 Cb 0.61 -3.09 -0.03 0.00 -0.53 0.00 0.00 39.78 36.74 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 -3.50 -0.49 0.70 1.20 -1.08 -0.93 -4.93 116.67 107.64 2o2l s ASP 22 Ca 0.58 -0.01 -0.11 0.00 -0.52 0.00 0.00 52.55 52.49 2o2l s ASP 22 Cb -0.31 0.56 0.01 0.00 -1.46 0.00 0.00 42.92 41.71 2o2l s ASP 22 CO 0.90 -0.90 1.09 -1.59 0.52 0.00 0.00 175.17 175.19 2o2l s LYS 23 N -3.48 2.94 0.21 4.34 -2.85 -1.26 -0.32 119.74 119.32 2o2l s LYS 23 Ca 0.00 0.49 -0.30 0.00 -1.00 0.00 0.00 55.97 55.17 2o2l s LYS 23 Cb -0.00 -2.03 -0.08 0.00 -2.06 0.00 0.00 37.83 33.65 2o2l s LYS 23 CO -0.10 -0.98 1.16 0.42 0.10 0.00 0.00 175.35 175.95 2o2l s ILE 24 N -3.34 3.55 -0.15 3.79 1.01 -1.26 -4.77 121.20 120.03 2o2l s ILE 24 Ca 0.58 1.38 -0.23 0.00 0.00 0.00 0.00 60.65 62.38 2o2l s ILE 24 Cb -0.11 -3.88 -0.24 0.00 0.01 0.00 0.00 42.46 38.24 2o2l s ILE 24 CO 0.52 0.25 0.52 0.25 0.00 0.00 0.00 174.94 176.49 2o2l h LEU 25 N 4.79 0.11 -7.87 2.97 5.85 -1.42 -3.48 115.31 116.26 2o2l h LEU 25 Ca -0.45 -0.78 -0.29 0.00 0.84 0.00 0.00 57.88 57.20 2o2l h LEU 25 Cb 1.21 -0.04 -0.27 0.00 0.37 0.00 0.00 40.66 41.93 2o2l h LEU 25 CO 0.72 1.34 -0.74 -0.94 -0.34 0.00 0.00 178.44 178.48 2o2l s SER 26 N -6.67 0.42 -0.12 1.25 1.04 -1.10 -4.99 113.70 103.53 2o2l s SER 26 Ca -0.23 -0.11 0.02 0.00 0.48 0.00 0.00 55.95 56.11 2o2l s SER 26 Cb 0.02 -0.03 -0.00 0.00 0.10 0.00 0.00 66.02 66.11 2o2l s SER 26 CO 0.68 0.01 -0.19 -0.47 0.98 0.00 0.00 173.24 174.24 2o2l s TYR 27 N -0.23 2.68 -0.05 5.02 6.14 -1.26 -1.88 117.35 127.77 2o2l s TYR 27 Ca -0.00 -0.97 0.02 0.00 0.64 0.00 0.00 57.07 56.76 2o2l s TYR 27 Cb -0.02 -1.79 0.01 0.00 0.42 0.00 0.00 41.96 40.58 2o2l s TYR 27 CO -0.00 -0.39 -0.11 0.99 0.64 0.00 0.00 175.55 176.68 2o2l s THR 28 N 0.47 0.98 -0.03 4.34 2.01 0.15 -5.02 115.64 118.55 2o2l s THR 28 Ca -0.13 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.48 2o2l s THR 28 Cb -0.17 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.44 2o2l s THR 28 CO 0.05 0.31 -0.10 -0.70 -0.69 0.00 0.00 174.62 173.50 2o2l s GLU 29 N 0.55 1.01 -0.03 4.92 2.12 -1.26 -0.66 118.70 125.34 2o2l s GLU 29 Ca -0.11 -0.33 0.04 0.00 0.36 0.00 0.00 54.97 54.93 2o2l s GLU 29 Cb -0.14 -0.94 -0.01 0.00 0.26 0.00 0.00 34.13 33.31 2o2l s GLU 29 CO 0.02 0.13 -0.16 0.45 -0.54 0.00 0.00 175.26 175.17 2o2l s SER 30 N 0.14 1.98 0.00 -1.70 0.15 -0.55 -5.00 113.70 108.72 2o2l s SER 30 Ca -0.02 -0.32 0.11 0.00 0.70 0.00 0.00 55.95 56.42 2o2l s SER 30 Cb -0.08 -0.44 0.31 0.00 -1.71 0.00 0.00 66.02 64.10 2o2l s SER 30 CO 0.00 0.16 1.25 1.15 1.20 0.00 0.00 173.24 177.01 2o2l n MET 31 N 3.00 2.81 -1.97 5.44 0.00 -1.26 -2.48 117.12 122.65 2o2l n MET 31 Ca -0.17 -2.05 -0.38 0.00 0.00 0.00 0.00 57.70 55.10 2o2l n MET 31 Cb 0.54 -1.28 0.02 0.00 0.00 0.00 0.00 33.22 32.49 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 -1.00 2.94 0.22 3.17 0.00 -1.26 -4.82 121.76 121.02 2o2l s ALA 32 Ca 0.24 1.20 -0.32 0.00 0.00 0.00 0.00 51.96 53.08 2o2l s ALA 32 Cb 0.12 -3.50 -0.13 0.00 0.00 0.00 0.00 23.12 19.62 2o2l s ALA 32 CO 0.16 -1.06 1.60 0.41 0.00 0.00 0.00 175.76 176.88 2o2l n GLY 33 N 0.62 1.26 3.61 0.00 0.00 -1.26 -0.70 105.19 108.71 2o2l n GLY 33 Ca 0.08 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 3.06 0.00 -2.37 1.61 4.01 -1.26 -4.80 118.16 118.41 2o2l n LYS 34 Ca 0.14 0.00 -0.18 0.00 -0.51 0.00 0.00 58.31 57.75 2o2l n LYS 34 Cb 0.33 -3.55 0.02 0.00 -0.51 0.00 0.00 35.03 31.33 2o2l n LYS 34 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2o2l n ARG 35 N -2.00 2.93 -2.73 1.97 5.12 0.12 -4.94 116.66 117.14 2o2l n ARG 35 Ca 0.00 -4.03 -0.43 0.00 -1.93 0.00 0.00 57.85 51.46 2o2l n ARG 35 Cb 0.00 -2.03 -0.02 0.00 -1.16 0.00 0.00 32.46 29.25 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 -3.57 3.78 0.21 5.56 8.01 -1.19 -4.24 118.70 127.26 2o2l s GLU 36 Ca 0.43 -1.76 -0.09 0.00 0.01 0.00 0.00 54.97 53.57 2o2l s GLU 36 Cb 0.40 -5.24 -0.02 0.00 -4.31 0.00 0.00 34.13 24.96 2o2l s GLU 36 CO -0.03 -2.03 0.33 0.00 0.01 0.00 0.00 175.26 173.54 2o2l s MET 37 N 3.61 1.36 -0.05 1.61 0.23 -1.03 -4.20 119.30 120.84 2o2l s MET 37 Ca 0.44 -1.34 0.05 0.00 -1.03 0.00 0.00 55.69 53.81 2o2l s MET 37 Cb -0.01 0.39 -0.01 0.00 -1.53 0.00 0.00 34.83 33.68 2o2l s MET 37 CO -0.04 -0.52 -0.22 0.08 -2.03 0.00 0.00 175.02 172.30 2o2l s VAL 38 N -4.05 1.77 -0.14 5.16 1.01 -1.04 -1.49 120.40 121.63 2o2l s VAL 38 Ca 0.26 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.35 2o2l s VAL 38 Cb 0.02 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.91 2o2l s VAL 38 CO 0.08 0.50 -0.21 -0.63 0.00 0.00 0.00 175.10 174.84 2o2l s ILE 39 N -0.12 2.18 0.22 2.22 1.01 0.16 -0.36 121.20 126.51 2o2l s ILE 39 Ca -0.02 -0.94 0.10 0.00 0.00 0.00 0.00 60.65 59.78 2o2l s ILE 39 Cb -0.12 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 2o2l s ILE 39 CO 0.03 0.54 -0.10 0.27 0.00 0.00 0.00 174.94 175.68 2o2l s ILE 40 N 0.79 3.06 0.05 2.92 -4.36 0.16 -0.68 121.20 123.14 2o2l s ILE 40 Ca -0.07 -1.89 0.02 0.00 -0.26 0.00 0.00 60.65 58.44 2o2l s ILE 40 Cb -0.16 -2.56 -0.03 0.00 1.25 0.00 0.00 42.46 40.96 2o2l s ILE 40 CO -0.01 -0.24 -0.07 -0.89 0.24 0.00 0.00 174.94 173.97 2o2l s THR 41 N -2.01 0.55 0.29 8.37 2.01 -0.79 -0.76 115.64 123.30 2o2l s THR 41 Ca 0.27 -1.23 0.06 0.00 0.31 0.00 0.00 61.69 61.11 2o2l s THR 41 Cb -0.07 -0.79 -0.06 0.00 0.01 0.00 0.00 72.50 71.59 2o2l s THR 41 CO 0.16 -0.48 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.22 2o2l s PHE 42 N -1.79 1.95 0.53 4.92 0.08 -0.32 -1.01 117.98 122.35 2o2l s PHE 42 Ca -0.06 -0.75 0.22 0.00 0.12 0.00 0.00 56.93 56.46 2o2l s PHE 42 Cb -0.07 -1.15 1.48 0.00 -0.57 0.00 0.00 43.02 42.71 2o2l s PHE 42 CO -0.01 0.23 2.17 0.87 -0.10 0.00 0.00 175.22 178.38 2o2l h LYS 43 N 2.25 0.00 -0.09 0.44 1.57 -1.88 -1.58 116.57 117.27 2o2l h LYS 43 Ca -0.40 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.40 2o2l h LYS 43 Cb 1.23 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.54 2o2l h LYS 43 CO 0.68 0.03 0.12 0.66 -0.57 0.00 0.00 179.45 180.38 2o2l h SER 44 N 0.00 0.00 0.00 0.86 4.64 -1.98 -3.45 113.55 113.62 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 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 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 -1.32 0.56 3.74 -0.77 0.00 -0.60 -5.08 105.19 101.72 2o2l n GLY 45 Ca -0.01 0.00 -0.41 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 -2.00 3.47 -0.07 4.61 0.00 -1.25 -4.87 121.76 121.65 2o2l s ALA 46 Ca 0.00 1.01 0.04 0.00 0.00 0.00 0.00 51.96 53.01 2o2l s ALA 46 Cb 0.00 -3.44 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 2o2l s ALA 46 CO 0.00 -0.43 -0.20 0.99 0.00 0.00 0.00 175.76 176.12 2o2l s THR 47 N -0.06 1.72 0.12 0.00 2.01 -1.26 -1.17 115.64 117.00 2o2l s THR 47 Ca 0.54 -0.85 0.04 0.00 0.31 0.00 0.00 61.69 61.73 2o2l s THR 47 Cb -0.34 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 2o2l s THR 47 CO 0.38 0.49 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.33 2o2l s PHE 48 N 0.24 1.18 0.17 4.92 0.08 0.06 -3.95 117.98 120.67 2o2l s PHE 48 Ca -0.12 -0.70 0.10 0.00 0.12 0.00 0.00 56.93 56.33 2o2l s PHE 48 Cb -0.15 -0.62 -0.04 0.00 -0.57 0.00 0.00 43.02 41.64 2o2l s PHE 48 CO 0.05 0.04 -0.21 1.14 -0.10 0.00 0.00 175.22 176.14 2o2l s GLN 49 N -3.23 1.36 -0.31 0.44 -2.07 -0.32 -0.66 119.66 114.86 2o2l s GLN 49 Ca 0.11 -1.42 -0.14 0.00 -1.82 0.00 0.00 55.36 52.09 2o2l s GLN 49 Cb -0.00 -1.56 -0.03 0.00 -1.09 0.00 0.00 33.01 30.33 2o2l s GLN 49 CO 0.00 0.33 0.30 0.08 -1.32 0.00 0.00 175.29 174.69 2o2l s VAL 50 N -1.76 5.22 0.32 3.63 1.01 0.51 -0.63 120.40 128.70 2o2l s VAL 50 Ca 0.17 0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.22 2o2l s VAL 50 Cb -0.07 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.54 2o2l s VAL 50 CO 0.08 0.06 0.63 -1.83 0.00 0.00 0.00 175.10 174.03 2o2l s GLU 51 N 1.92 3.71 0.20 2.72 -1.05 -1.26 -2.48 118.70 122.46 2o2l s GLU 51 Ca 0.10 0.21 -0.31 0.00 -0.15 0.00 0.00 54.97 54.82 2o2l s GLU 51 Cb -0.16 -2.56 -0.16 0.00 -0.44 0.00 0.00 34.13 30.81 2o2l s GLU 51 CO 0.11 0.14 1.05 0.28 0.95 0.00 0.00 175.26 177.79 2o2l n VAL 52 N -0.93 1.25 -1.50 1.83 0.31 -1.26 -4.75 118.33 113.27 2o2l n VAL 52 Ca 0.00 -0.31 -0.58 0.00 -0.01 0.00 0.00 64.34 63.44 2o2l n VAL 52 Cb 0.54 -0.74 -0.09 0.00 -0.91 0.00 0.00 33.84 32.63 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 1.41 0.62 0.04 5.55 -0.02 -1.26 -5.10 135.00 136.24 2o2l n PRO 53 Ca 0.14 0.20 -0.17 0.00 -2.02 0.00 0.00 63.50 61.65 2o2l n PRO 53 Cb 0.26 -1.94 -0.08 0.00 -0.02 0.00 0.00 33.50 31.72 2o2l n PRO 53 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2o2l h GLY 54 N 8.92 0.68 0.00 -1.23 0.00 -2.00 -3.53 103.07 105.90 2o2l h GLY 54 Ca -0.29 -1.15 0.00 0.00 0.00 0.00 0.00 47.33 45.88 2o2l h GLY 54 CO 1.02 1.02 0.00 2.09 0.00 0.00 0.00 176.54 180.67 2o2l n ASP 59 N -3.83 -0.26 -0.02 0.19 5.68 -1.26 -5.25 116.55 111.81 2o2l n ASP 59 Ca -0.09 0.08 -0.01 0.00 -0.50 0.00 0.00 54.79 54.27 2o2l n ASP 59 Cb 0.85 0.51 0.26 0.00 -1.14 0.00 0.00 41.12 41.60 2o2l n ASP 59 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2o2l h SER 60 N 0.00 0.54 1.14 -1.12 4.64 -2.05 -3.18 113.55 113.52 2o2l h SER 60 Ca 0.00 -0.11 -0.09 0.00 -0.47 0.00 0.00 61.79 61.12 2o2l h SER 60 Cb 0.00 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 2o2l h SER 60 CO 0.00 0.63 -0.41 1.56 -0.87 0.00 0.00 176.83 177.74 2o2l h GLN 61 N 0.54 0.00 -0.56 4.77 4.20 -2.06 -3.08 115.11 118.92 2o2l h GLN 61 Ca 0.11 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.72 2o2l h GLN 61 Cb 0.39 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 2o2l h GLN 61 CO 0.02 0.41 -0.04 0.87 -0.67 0.00 0.00 178.83 179.41 2o2l h LYS 62 N 0.00 1.00 -0.29 1.46 1.57 -2.00 0.91 116.57 119.23 2o2l h LYS 62 Ca -0.00 -0.33 -0.12 0.00 -1.87 0.00 0.00 60.65 58.32 2o2l h LYS 62 Cb 1.09 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 2o2l h LYS 62 CO 0.05 1.01 -0.33 0.87 -0.57 0.00 0.00 179.45 180.49 2o2l h LYS 63 N 0.91 0.63 -0.32 3.15 1.57 -1.61 -3.05 116.57 117.84 2o2l h LYS 63 Ca 0.16 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 2o2l h LYS 63 Cb 0.59 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 2o2l h LYS 63 CO 0.04 0.87 -0.00 0.00 -0.57 0.00 0.00 179.45 179.79 2o2l h ALA 64 N 1.11 0.43 -0.63 3.86 0.00 -1.36 -0.67 119.26 122.00 2o2l h ALA 64 Ca 0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2o2l h ALA 64 Cb 0.82 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2o2l h ALA 64 CO 0.07 0.19 0.38 0.82 0.00 0.00 0.00 179.25 180.71 2o2l h ILE 65 N 0.37 1.18 -0.77 0.00 2.04 -0.87 -0.95 117.51 118.50 2o2l h ILE 65 Ca 0.09 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 2o2l h ILE 65 Cb 0.44 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 2o2l h ILE 65 CO 0.02 0.19 0.36 -0.33 0.00 0.00 0.00 178.15 178.38 2o2l h GLU 66 N 0.85 1.12 -0.34 2.37 4.39 -1.40 -2.30 114.58 119.28 2o2l h GLU 66 Ca 0.23 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.71 2o2l h GLU 66 Cb -0.03 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.41 2o2l h GLU 66 CO -0.04 0.88 0.03 -0.09 -1.16 0.00 0.00 179.01 178.63 2o2l h ARG 67 N 1.10 0.58 -0.99 2.33 2.43 -0.72 -1.97 114.38 117.14 2o2l h ARG 67 Ca 0.26 -0.17 0.08 0.00 -0.81 0.00 0.00 59.98 59.35 2o2l h ARG 67 Cb 0.14 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.56 2o2l h ARG 67 CO -0.03 0.68 0.63 1.98 -1.51 0.00 0.00 179.97 181.72 2o2l h MET 68 N 0.40 1.07 -0.57 0.20 4.05 -1.02 0.16 114.93 119.22 2o2l h MET 68 Ca 0.10 -0.06 -0.08 0.00 -0.28 0.00 0.00 59.70 59.37 2o2l h MET 68 Cb 0.40 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 2o2l h MET 68 CO 0.01 0.71 0.03 0.87 0.23 0.00 0.00 176.91 178.76 2o2l h LYS 69 N 1.10 0.98 -0.47 0.39 1.57 -1.13 -0.59 116.57 118.41 2o2l h LYS 69 Ca 0.45 -0.30 0.02 0.00 -1.87 0.00 0.00 60.65 58.95 2o2l h LYS 69 Cb 0.27 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 2o2l h LYS 69 CO -0.20 0.96 0.28 -0.44 -0.57 0.00 0.00 179.45 179.48 2o2l h ASP 70 N 0.87 0.46 -0.70 0.86 3.32 -0.43 -2.33 116.42 118.46 2o2l h ASP 70 Ca 0.16 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 2o2l h ASP 70 Cb 0.50 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 2o2l h ASP 70 CO 0.02 0.33 0.37 0.74 -1.72 0.00 0.00 179.24 178.98 2o2l h THR 71 N 0.57 1.22 -0.33 0.35 2.02 -0.27 -2.03 112.91 114.44 2o2l h THR 71 Ca 0.19 -0.57 -0.11 0.00 0.77 0.00 0.00 66.41 66.68 2o2l h THR 71 Cb 0.01 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 2o2l h THR 71 CO -0.08 0.25 -0.26 -0.07 0.37 0.00 0.00 175.52 175.73 2o2l h LEU 72 N 0.96 0.67 0.39 2.58 3.38 -0.92 -0.15 115.31 122.22 2o2l h LEU 72 Ca 0.24 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2o2l h LEU 72 Cb 0.06 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2o2l h LEU 72 CO -0.04 0.90 -0.19 -0.09 0.09 0.00 0.00 178.44 179.12 2o2l h ARG 73 N 0.57 -0.50 0.00 1.13 2.43 -1.17 -0.27 114.38 116.57 2o2l h ARG 73 Ca 0.08 0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 2o2l h ARG 73 Cb 0.74 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 2o2l h ARG 73 CO 0.06 -0.23 -0.25 0.97 -1.51 0.00 0.00 179.97 179.00 2o2l h ILE 74 N -0.71 1.12 -0.28 1.20 6.09 -1.31 -0.39 117.51 123.24 2o2l h ILE 74 Ca -0.05 -0.88 -0.09 0.00 -1.37 0.00 0.00 64.86 62.47 2o2l h ILE 74 Cb 0.50 1.48 -0.01 0.00 0.47 0.00 0.00 36.82 39.27 2o2l h ILE 74 CO 0.09 0.25 -0.18 0.74 -3.07 0.00 0.00 178.15 175.98 2o2l h THR 75 N 0.00 1.30 -0.01 2.19 2.02 -0.92 -1.63 112.91 115.86 2o2l h THR 75 Ca -0.00 -1.30 0.02 0.00 0.77 0.00 0.00 66.41 65.90 2o2l h THR 75 Cb 0.46 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 2o2l h THR 75 CO 0.03 0.41 -0.08 0.22 0.37 0.00 0.00 175.52 176.48 2o2l h TYR 76 N 0.35 -0.20 -0.15 3.16 3.20 -0.48 -1.57 116.97 121.28 2o2l h TYR 76 Ca 0.06 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.85 2o2l h TYR 76 Cb 0.71 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 2o2l h TYR 76 CO 0.07 -0.12 -0.29 -0.07 -1.64 0.00 0.00 178.16 176.10 2o2l h LEU 77 N -0.13 0.28 -0.81 2.82 3.38 -0.99 -2.22 115.31 117.63 2o2l h LEU 77 Ca 0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2o2l h LEU 77 Cb 0.18 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2o2l h LEU 77 CO -0.09 0.57 0.00 0.35 0.09 0.00 0.00 178.44 179.36 2o2l n THR 78 N -4.12 0.01 -3.71 0.22 -2.24 -0.62 -4.95 114.28 98.87 2o2l n THR 78 Ca -0.01 -0.21 -0.25 0.00 -2.27 0.00 0.00 64.05 61.31 2o2l n THR 78 Cb 0.40 0.32 0.05 0.00 -2.10 0.00 0.00 70.33 69.00 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 -0.02 -6.29 -3.08 -0.78 1.02 -0.84 -4.94 120.64 105.72 2o2l n GLU 79 Ca 0.20 0.70 -0.39 0.00 -0.02 0.00 0.00 57.16 57.65 2o2l n GLU 79 Cb 0.31 -5.60 -0.05 0.00 -0.02 0.00 0.00 31.44 26.08 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 -3.39 4.85 -0.11 2.62 2.01 -0.63 -4.86 115.64 116.12 2o2l s THR 80 Ca 0.42 1.44 -0.30 0.00 0.31 0.00 0.00 61.69 63.57 2o2l s THR 80 Cb -0.20 -4.03 -0.02 0.00 0.01 0.00 0.00 72.50 68.26 2o2l s THR 80 CO 0.78 0.37 1.22 -0.75 -0.69 0.00 0.00 174.62 175.55 2o2l s LYS 81 N 0.02 4.30 -0.04 4.92 2.20 -1.26 -4.31 119.74 125.57 2o2l s LYS 81 Ca 0.35 1.65 -0.23 0.00 -0.36 0.00 0.00 55.97 57.37 2o2l s LYS 81 Cb -0.19 -3.65 -0.04 0.00 -1.51 0.00 0.00 37.83 32.43 2o2l s LYS 81 CO 0.20 -0.57 0.70 0.42 -0.36 0.00 0.00 175.35 175.74 2o2l s ILE 82 N 2.83 4.97 0.00 5.43 1.01 0.56 -3.92 121.20 132.09 2o2l s ILE 82 Ca 0.55 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.65 2o2l s ILE 82 Cb -0.23 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.20 2o2l s ILE 82 CO 0.18 0.29 0.08 -0.67 0.00 0.00 0.00 174.94 174.82 2o2l n ASP 83 N 3.46 0.00 -4.19 3.58 -0.08 0.28 -0.86 116.55 118.74 2o2l n ASP 83 Ca -0.02 0.50 -0.15 0.00 -1.51 0.00 0.00 54.79 53.60 2o2l n ASP 83 Cb 0.51 -0.45 -0.11 0.00 2.34 0.00 0.00 41.12 43.41 2o2l n ASP 83 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2o2l s LYS 84 N -1.07 0.87 -0.05 -0.67 1.02 -1.10 -0.76 119.74 117.99 2o2l s LYS 84 Ca 0.00 -1.15 0.05 0.00 0.02 0.00 0.00 55.97 54.89 2o2l s LYS 84 Cb 0.00 -0.61 -0.02 0.00 -0.52 0.00 0.00 37.83 36.68 2o2l s LYS 84 CO 0.00 0.10 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.80 2o2l s LEU 85 N -2.39 2.25 -0.26 3.17 1.43 -0.27 -0.63 118.68 121.98 2o2l s LEU 85 Ca 0.05 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 52.62 2o2l s LEU 85 Cb -0.04 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.71 2o2l s LEU 85 CO 0.01 0.27 0.17 0.00 0.23 0.00 0.00 176.35 177.03 2o2l s VAL 87 N 1.36 0.93 -0.36 0.00 -7.23 0.52 0.17 120.40 115.79 2o2l s VAL 87 Ca 0.07 -1.37 -0.26 0.00 -1.81 0.00 0.00 61.98 58.62 2o2l s VAL 87 Cb -0.15 -1.07 0.01 0.00 0.56 0.00 0.00 36.38 35.74 2o2l s VAL 87 CO 0.07 -0.37 0.91 0.26 -0.31 0.00 0.00 175.10 175.67 2o2l s TRP 88 N -1.68 3.09 -2.09 2.82 0.51 0.60 0.12 118.94 122.30 2o2l s TRP 88 Ca -0.01 0.76 0.15 0.00 -2.12 0.00 0.00 56.10 54.88 2o2l s TRP 88 Cb -0.08 -3.61 0.46 0.00 -0.81 0.00 0.00 33.47 29.44 2o2l s TRP 88 CO 0.01 -0.81 1.36 0.27 -0.51 0.00 0.00 176.95 177.28 2o2l n ASN 89 N 6.72 1.95 -0.34 2.95 0.23 -0.41 -1.96 115.26 124.42 2o2l n ASN 89 Ca 0.07 -1.91 0.04 0.00 -0.53 0.00 0.00 54.58 52.25 2o2l n ASN 89 Cb 0.48 -0.21 0.14 0.00 -2.08 0.00 0.00 39.78 38.12 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 0.54 0.98 -4.09 0.53 6.94 -1.26 -4.88 115.26 114.03 2o2l n ASN 90 Ca 0.14 -1.93 -0.13 0.00 -0.02 0.00 0.00 54.58 52.64 2o2l n ASN 90 Cb 0.33 -0.11 -0.11 0.00 -2.36 0.00 0.00 39.78 37.52 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 -1.77 0.61 -0.23 -3.83 1.02 -1.24 -5.10 119.74 109.19 2o2l s LYS 91 Ca 0.15 -0.88 0.01 0.00 0.02 0.00 0.00 55.97 55.27 2o2l s LYS 91 Cb 0.08 -0.32 0.03 0.00 -0.52 0.00 0.00 37.83 37.10 2o2l s LYS 91 CO 0.11 0.05 -0.12 0.99 -0.92 0.00 0.00 175.35 175.46 2o2l s THR 92 N -1.77 2.39 0.95 2.17 2.01 -1.26 -2.21 115.64 117.92 2o2l s THR 92 Ca -0.05 -1.18 -0.12 0.00 0.31 0.00 0.00 61.69 60.64 2o2l s THR 92 Cb -0.07 -2.21 0.16 0.00 0.01 0.00 0.00 72.50 70.39 2o2l s THR 92 CO -0.00 0.24 1.11 -2.16 -0.69 0.00 0.00 174.62 173.11 2o2l s PRO 93 N 1.25 0.86 0.46 4.92 0.04 -1.26 -5.06 135.00 136.20 2o2l s PRO 93 Ca -0.01 0.48 -0.24 0.00 0.04 0.00 0.00 61.00 61.28 2o2l s PRO 93 Cb -0.16 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 2o2l s PRO 93 CO -0.07 -2.43 1.15 0.09 0.04 0.00 0.00 177.00 175.77 2o2l n ASN 94 N -3.96 1.88 -4.71 6.66 4.13 -0.94 -4.56 115.26 113.76 2o2l n ASN 94 Ca 0.06 1.02 -0.35 0.00 1.68 0.00 0.00 54.58 56.99 2o2l n ASN 94 Cb 0.58 -1.44 -0.08 0.00 -1.54 0.00 0.00 39.78 37.29 2o2l n ASN 94 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2o2l s SER 95 N -0.75 5.95 -0.10 6.41 0.15 -0.83 -1.18 113.70 123.35 2o2l s SER 95 Ca 0.65 0.20 -0.30 0.00 0.70 0.00 0.00 55.95 57.21 2o2l s SER 95 Cb -0.50 -2.00 -0.02 0.00 -1.71 0.00 0.00 66.02 61.79 2o2l s SER 95 CO 0.55 0.23 1.18 -0.63 1.20 0.00 0.00 173.24 175.77 2o2l s ILE 96 N 0.06 4.36 -0.22 6.45 1.01 0.20 -0.29 121.20 132.77 2o2l s ILE 96 Ca 0.07 1.66 0.03 0.00 0.00 0.00 0.00 60.65 62.42 2o2l s ILE 96 Cb -0.12 -4.07 -0.16 0.00 0.01 0.00 0.00 42.46 38.13 2o2l s ILE 96 CO 0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 174.94 174.72 2o2l n ALA 97 N 5.62 1.52 -3.19 9.38 0.00 0.13 -4.91 120.51 129.05 2o2l n ALA 97 Ca 0.11 -0.98 -0.13 0.00 0.00 0.00 0.00 53.44 52.44 2o2l n ALA 97 Cb 0.46 -0.03 -0.08 0.00 0.00 0.00 0.00 19.45 19.81 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 -2.45 -0.90 -0.01 0.00 0.00 -0.38 -4.97 121.76 113.06 2o2l s ALA 98 Ca -0.28 0.34 0.04 0.00 0.00 0.00 0.00 51.96 52.06 2o2l s ALA 98 Cb 0.07 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.37 2o2l s ALA 98 CO 0.54 -0.35 -0.14 -1.50 0.00 0.00 0.00 175.76 174.32 2o2l s ILE 99 N -1.85 1.08 0.06 0.00 2.07 -1.26 0.52 121.20 121.82 2o2l s ILE 99 Ca -0.10 -0.58 0.06 0.00 -1.41 0.00 0.00 60.65 58.62 2o2l s ILE 99 Cb -0.03 -0.91 -0.03 0.00 0.13 0.00 0.00 42.46 41.63 2o2l s ILE 99 CO 0.02 0.31 -0.16 -0.94 -1.91 0.00 0.00 174.94 172.25 2o2l s SER 100 N -0.30 1.94 -0.02 4.50 1.04 0.19 -5.00 113.70 116.05 2o2l s SER 100 Ca 0.05 -0.55 0.01 0.00 0.48 0.00 0.00 55.95 55.93 2o2l s SER 100 Cb -0.06 -0.11 0.01 0.00 0.10 0.00 0.00 66.02 65.97 2o2l s SER 100 CO -0.00 0.02 -0.01 -0.04 0.98 0.00 0.00 173.24 174.19 2o2l s MET 101 N -1.46 0.24 -0.04 4.02 -1.94 -1.26 -0.56 119.30 118.30 2o2l s MET 101 Ca 0.02 0.00 -0.00 0.00 -1.71 0.00 0.00 55.69 54.00 2o2l s MET 101 Cb -0.09 -0.34 0.03 0.00 2.01 0.00 0.00 34.83 36.44 2o2l s MET 101 CO 0.02 -0.05 0.02 -2.00 -0.01 0.00 0.00 175.02 173.00 2o2l s GLU 102 N 0.51 0.22 0.00 2.03 2.12 -1.25 -4.85 118.70 117.48 2o2l s GLU 102 Ca -0.05 0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.44 2o2l s GLU 102 Cb -0.08 -0.53 0.00 0.00 0.26 0.00 0.00 34.13 33.78 2o2l s GLU 102 CO -0.01 -0.20 0.00 0.36 -0.54 0.00 0.00 175.26 174.87