#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 2.47 -0.00 0.00 0.04 -1.26 -4.95 135.00 131.30 2o2l s PRO 2 Ca 0.00 1.73 0.01 0.00 0.04 0.00 0.00 61.00 62.77 2o2l s PRO 2 Cb 0.00 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.67 2o2l s PRO 2 CO 0.00 -1.57 1.00 1.04 0.04 0.00 0.00 177.00 177.51 2o2l n GLN 3 N -2.36 2.92 -3.46 4.56 6.02 -1.26 -4.95 117.38 118.85 2o2l n GLN 3 Ca 0.13 -1.52 -0.12 0.00 -0.01 0.00 0.00 57.00 55.47 2o2l n GLN 3 Cb 0.50 -1.01 -0.03 0.00 1.02 0.00 0.00 30.24 30.72 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 -1.05 -0.53 0.24 1.08 1.04 -1.26 -5.02 113.70 108.20 2o2l s SER 4 Ca 0.01 0.04 -0.06 0.00 0.48 0.00 0.00 55.95 56.42 2o2l s SER 4 Cb 0.01 0.58 0.25 0.00 0.10 0.00 0.00 66.02 66.95 2o2l s SER 4 CO 0.00 -0.91 1.88 -0.29 0.98 0.00 0.00 173.24 174.89 2o2l h ILE 5 N 2.17 1.26 -0.41 -1.02 2.10 -1.96 0.22 117.51 119.86 2o2l h ILE 5 Ca -0.33 -0.60 0.00 0.00 1.08 0.00 0.00 64.86 65.00 2o2l h ILE 5 Cb 1.28 0.02 -0.02 0.00 -1.09 0.00 0.00 36.82 37.01 2o2l h ILE 5 CO 0.39 0.28 0.26 0.74 -1.08 0.00 0.00 178.15 178.74 2o2l h THR 6 N 1.25 1.12 -0.59 2.19 2.02 -1.98 0.32 112.91 117.25 2o2l h THR 6 Ca 0.32 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 67.18 2o2l h THR 6 Cb -0.00 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 2o2l h THR 6 CO -0.05 0.12 0.13 -0.08 0.37 0.00 0.00 175.52 176.01 2o2l h GLU 7 N 0.54 0.95 -0.44 6.66 4.81 -1.88 -1.61 114.58 123.62 2o2l h GLU 7 Ca 0.15 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2o2l h GLU 7 Cb -0.02 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 2o2l h GLU 7 CO -0.03 0.89 0.25 1.25 -0.73 0.00 0.00 179.01 180.63 2o2l h LEU 8 N 0.86 0.54 -0.81 1.64 5.85 -0.66 -3.13 115.31 119.60 2o2l h LEU 8 Ca 0.18 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 2o2l h LEU 8 Cb 0.37 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 2o2l h LEU 8 CO 0.00 0.46 0.50 0.00 -0.34 0.00 0.00 178.44 179.07 2o2l n SER 10 N -4.47 0.00 -0.02 0.00 3.41 -0.63 -1.85 113.62 110.06 2o2l n SER 10 Ca 0.08 -0.44 0.13 0.00 -0.26 0.00 0.00 58.87 58.38 2o2l n SER 10 Cb 0.05 -0.07 0.45 0.00 -0.26 0.00 0.00 64.21 64.38 2o2l n SER 10 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2o2l n GLU 11 N -1.07 0.12 -4.34 4.33 2.13 -0.72 -4.92 120.64 116.17 2o2l n GLU 11 Ca 0.13 -0.05 -0.23 0.00 0.66 0.00 0.00 57.16 57.67 2o2l n GLU 11 Cb 0.08 -1.50 -0.12 0.00 0.27 0.00 0.00 31.44 30.18 2o2l n GLU 11 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2o2l s TYR 12 N -2.91 1.91 0.50 4.31 1.51 -0.77 -5.14 117.35 116.76 2o2l s TYR 12 Ca 0.15 -0.44 -0.06 0.00 -1.01 0.00 0.00 57.07 55.71 2o2l s TYR 12 Cb 0.18 -0.97 -0.04 0.00 -0.11 0.00 0.00 41.96 41.03 2o2l s TYR 12 CO 0.60 0.34 0.82 -1.01 -1.11 0.00 0.00 175.55 175.18 2o2l s HIS 13 N -1.80 3.57 -1.20 2.71 3.76 -1.26 -4.26 115.29 116.80 2o2l s HIS 13 Ca 0.15 0.88 0.00 0.00 -0.15 0.00 0.00 55.06 55.94 2o2l s HIS 13 Cb -0.07 -2.36 0.00 0.00 1.11 0.00 0.00 32.58 31.26 2o2l s HIS 13 CO 0.07 -0.33 0.00 0.09 -0.85 0.00 0.00 174.74 173.72 2o2l n ASN 14 N -2.30 -4.06 -4.74 1.40 3.02 -1.26 -4.95 115.26 102.37 2o2l n ASN 14 Ca 0.01 0.20 -0.24 0.00 -0.03 0.00 0.00 54.58 54.52 2o2l n ASN 14 Cb 0.55 -3.49 -0.07 0.00 -0.61 0.00 0.00 39.78 36.16 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 -2.58 2.51 -0.28 3.41 -4.23 -1.26 -1.76 115.64 111.45 2o2l s THR 15 Ca 0.00 -1.69 -0.23 0.00 -1.18 0.00 0.00 61.69 58.59 2o2l s THR 15 Cb 0.00 -2.98 0.11 0.00 1.34 0.00 0.00 72.50 70.97 2o2l s THR 15 CO 0.00 -0.06 0.92 -1.58 -0.54 0.00 0.00 174.62 173.36 2o2l s GLN 16 N -3.89 0.58 -0.24 3.99 0.74 -0.55 -4.86 119.66 115.43 2o2l s GLN 16 Ca 0.40 0.76 -0.15 0.00 0.05 0.00 0.00 55.36 56.42 2o2l s GLN 16 Cb 0.02 0.25 -0.04 0.00 1.10 0.00 0.00 33.01 34.34 2o2l s GLN 16 CO 0.23 -0.08 0.38 0.42 -0.55 0.00 0.00 175.29 175.69 2o2l s ILE 17 N 0.55 5.19 -0.19 -2.34 -1.09 -1.26 -1.09 121.20 120.96 2o2l s ILE 17 Ca -0.00 0.63 -0.12 0.00 -2.23 0.00 0.00 60.65 58.93 2o2l s ILE 17 Cb -0.05 -3.71 -0.05 0.00 -1.58 0.00 0.00 42.46 37.07 2o2l s ILE 17 CO -0.07 0.21 0.20 -0.31 -1.23 0.00 0.00 174.94 173.74 2o2l s TYR 18 N 1.68 3.41 -0.26 3.97 1.51 0.47 -4.97 117.35 123.15 2o2l s TYR 18 Ca 0.17 0.42 -0.22 0.00 -1.01 0.00 0.00 57.07 56.42 2o2l s TYR 18 Cb -0.15 -2.26 -0.01 0.00 -0.11 0.00 0.00 41.96 39.43 2o2l s TYR 18 CO 0.09 0.22 0.73 0.99 -1.11 0.00 0.00 175.55 176.46 2o2l s THR 19 N 0.57 4.89 -0.22 -0.71 2.01 -1.26 -1.03 115.64 119.89 2o2l s THR 19 Ca 0.11 1.28 -0.12 0.00 0.31 0.00 0.00 61.69 63.27 2o2l s THR 19 Cb -0.12 -4.05 -0.09 0.00 0.01 0.00 0.00 72.50 68.25 2o2l s THR 19 CO 0.02 -0.07 -0.30 -0.38 -0.69 0.00 0.00 174.62 173.19 2o2l n ILE 20 N 5.30 1.31 -4.03 1.82 2.08 0.13 -5.00 119.36 120.96 2o2l n ILE 20 Ca 0.02 -0.25 -0.38 0.00 0.56 0.00 0.00 62.75 62.70 2o2l n ILE 20 Cb 0.48 -1.88 -0.00 0.00 -0.75 0.00 0.00 39.64 37.49 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 -4.09 -2.90 -3.53 4.38 5.15 -0.25 -4.94 115.26 109.09 2o2l n ASN 21 Ca -0.41 -1.21 -0.09 0.00 -0.60 0.00 0.00 54.58 52.28 2o2l n ASN 21 Cb 0.77 -2.17 -0.03 0.00 -0.53 0.00 0.00 39.78 37.82 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 -3.79 -0.35 0.82 1.20 2.15 -0.72 -4.95 116.67 111.04 2o2l s ASP 22 Ca 0.33 0.10 -0.12 0.00 0.43 0.00 0.00 52.55 53.29 2o2l s ASP 22 Cb -0.17 0.35 0.08 0.00 -0.30 0.00 0.00 42.92 42.89 2o2l s ASP 22 CO 0.95 -0.53 1.12 -1.59 -0.17 0.00 0.00 175.17 174.94 2o2l s LYS 23 N -2.62 1.88 0.13 4.34 -2.85 -1.26 -0.83 119.74 118.53 2o2l s LYS 23 Ca 0.04 0.48 -0.30 0.00 -1.00 0.00 0.00 55.97 55.18 2o2l s LYS 23 Cb -0.01 -1.91 -0.06 0.00 -2.06 0.00 0.00 37.83 33.79 2o2l s LYS 23 CO -0.06 -1.73 1.03 0.42 0.10 0.00 0.00 175.35 175.11 2o2l s ILE 24 N -3.25 4.25 -0.14 3.79 1.01 -1.26 -4.71 121.20 120.89 2o2l s ILE 24 Ca 0.61 1.87 -0.27 0.00 0.00 0.00 0.00 60.65 62.86 2o2l s ILE 24 Cb -0.14 -4.19 -0.24 0.00 0.01 0.00 0.00 42.46 37.89 2o2l s ILE 24 CO 0.53 0.29 0.72 0.25 0.00 0.00 0.00 174.94 176.73 2o2l h LEU 25 N 5.51 0.00 -8.53 2.97 5.85 -0.40 -3.48 115.31 117.23 2o2l h LEU 25 Ca -0.43 -0.94 -0.25 0.00 0.84 0.00 0.00 57.88 57.10 2o2l h LEU 25 Cb 1.21 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 42.09 2o2l h LEU 25 CO 0.73 0.97 -0.68 -0.94 -0.34 0.00 0.00 178.44 178.18 2o2l s SER 26 N -6.18 1.13 -0.04 1.25 1.04 -1.01 -4.98 113.70 104.91 2o2l s SER 26 Ca -0.18 -1.08 -0.01 0.00 0.48 0.00 0.00 55.95 55.16 2o2l s SER 26 Cb -0.03 0.11 0.03 0.00 0.10 0.00 0.00 66.02 66.23 2o2l s SER 26 CO 0.65 -0.52 0.02 -0.47 0.98 0.00 0.00 173.24 173.90 2o2l s TYR 27 N -3.65 0.30 -0.03 5.02 6.14 -1.26 -2.05 117.35 121.81 2o2l s TYR 27 Ca 0.17 0.05 0.04 0.00 0.64 0.00 0.00 57.07 57.97 2o2l s TYR 27 Cb 0.06 -0.51 -0.00 0.00 0.42 0.00 0.00 41.96 41.93 2o2l s TYR 27 CO -0.01 -0.19 -0.15 0.99 0.64 0.00 0.00 175.55 176.83 2o2l s THR 28 N 1.58 1.26 -0.04 4.34 2.01 0.24 -5.00 115.64 120.03 2o2l s THR 28 Ca -0.02 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.36 2o2l s THR 28 Cb -0.13 -1.08 0.02 0.00 0.01 0.00 0.00 72.50 71.32 2o2l s THR 28 CO -0.03 0.37 -0.05 -0.70 -0.69 0.00 0.00 174.62 173.52 2o2l s GLU 29 N -0.01 0.83 0.02 4.92 2.12 -1.26 -0.10 118.70 125.22 2o2l s GLU 29 Ca -0.02 -0.13 0.07 0.00 0.36 0.00 0.00 54.97 55.25 2o2l s GLU 29 Cb -0.10 -0.82 -0.02 0.00 0.26 0.00 0.00 34.13 33.45 2o2l s GLU 29 CO 0.01 -0.05 -0.21 0.45 -0.54 0.00 0.00 175.26 174.92 2o2l s SER 30 N 0.78 2.51 -0.04 -1.70 0.15 0.05 -5.00 113.70 110.46 2o2l s SER 30 Ca -0.11 -0.47 0.07 0.00 0.70 0.00 0.00 55.95 56.14 2o2l s SER 30 Cb -0.13 -0.24 0.17 0.00 -1.71 0.00 0.00 66.02 64.11 2o2l s SER 30 CO 0.00 0.20 1.12 1.15 1.20 0.00 0.00 173.24 176.92 2o2l n MET 31 N 2.10 2.67 -2.12 5.44 0.00 -1.26 -2.57 117.12 121.38 2o2l n MET 31 Ca -0.16 -1.93 -0.41 0.00 0.00 0.00 0.00 57.70 55.19 2o2l n MET 31 Cb 0.53 -1.22 -0.02 0.00 0.00 0.00 0.00 33.22 32.50 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 -1.47 3.52 0.16 3.17 0.00 -1.26 -4.83 121.76 121.05 2o2l s ALA 32 Ca 0.15 1.25 -0.34 0.00 0.00 0.00 0.00 51.96 53.01 2o2l s ALA 32 Cb 0.11 -3.49 -0.14 0.00 0.00 0.00 0.00 23.12 19.60 2o2l s ALA 32 CO 0.05 -0.63 1.58 0.41 0.00 0.00 0.00 175.76 177.16 2o2l n GLY 33 N 1.20 1.12 3.37 0.00 0.00 -1.26 -0.23 105.19 109.39 2o2l n GLY 33 Ca 0.02 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 3.42 0.00 -2.28 1.61 4.76 -1.26 -4.84 118.16 119.57 2o2l n LYS 34 Ca 0.17 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.39 2o2l n LYS 34 Cb 0.29 -2.08 0.02 0.00 -1.84 0.00 0.00 35.03 31.41 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 -2.00 3.27 -2.61 1.97 5.12 0.68 -4.94 116.66 118.15 2o2l n ARG 35 Ca 0.00 -4.18 -0.41 0.00 -1.93 0.00 0.00 57.85 51.33 2o2l n ARG 35 Cb 0.00 -2.16 -0.03 0.00 -1.16 0.00 0.00 32.46 29.11 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 3.50 0.21 5.56 8.01 -1.19 -4.27 118.70 126.95 2o2l s GLU 36 Ca 0.47 -1.01 -0.14 0.00 0.01 0.00 0.00 54.97 54.30 2o2l s GLU 36 Cb 0.40 -5.05 0.01 0.00 -4.31 0.00 0.00 34.13 25.18 2o2l s GLU 36 CO -0.04 -2.14 0.46 0.00 0.01 0.00 0.00 175.26 173.54 2o2l s MET 37 N 4.85 1.41 -0.06 1.61 0.23 -1.06 -3.98 119.30 122.29 2o2l s MET 37 Ca 0.42 -1.10 0.05 0.00 -1.03 0.00 0.00 55.69 54.03 2o2l s MET 37 Cb -0.03 0.47 -0.01 0.00 -1.53 0.00 0.00 34.83 33.74 2o2l s MET 37 CO -0.04 -0.58 -0.22 0.08 -2.03 0.00 0.00 175.02 172.22 2o2l s VAL 38 N -3.96 1.86 -0.11 5.16 1.01 -0.93 -0.77 120.40 122.66 2o2l s VAL 38 Ca 0.17 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.22 2o2l s VAL 38 Cb -0.00 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 2o2l s VAL 38 CO 0.03 0.52 -0.18 -0.63 0.00 0.00 0.00 175.10 174.84 2o2l s ILE 39 N 0.02 2.58 0.10 2.22 1.01 0.86 -1.47 121.20 126.52 2o2l s ILE 39 Ca -0.07 -0.83 0.09 0.00 0.00 0.00 0.00 60.65 59.84 2o2l s ILE 39 Cb -0.14 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 2o2l s ILE 39 CO 0.04 0.54 -0.22 0.27 0.00 0.00 0.00 174.94 175.58 2o2l s ILE 40 N 0.30 2.58 0.06 2.92 -4.36 0.04 -0.60 121.20 122.15 2o2l s ILE 40 Ca -0.14 -1.52 0.05 0.00 -0.26 0.00 0.00 60.65 58.79 2o2l s ILE 40 Cb -0.17 -2.14 -0.03 0.00 1.25 0.00 0.00 42.46 41.38 2o2l s ILE 40 CO 0.07 0.17 -0.15 -0.89 0.24 0.00 0.00 174.94 174.38 2o2l s THR 41 N -1.04 1.19 0.20 8.37 2.01 -0.87 -0.72 115.64 124.78 2o2l s THR 41 Ca 0.15 -1.23 0.09 0.00 0.31 0.00 0.00 61.69 61.02 2o2l s THR 41 Cb -0.10 -1.11 -0.05 0.00 0.01 0.00 0.00 72.50 71.25 2o2l s THR 41 CO 0.07 -0.12 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.35 2o2l s PHE 42 N -1.11 1.88 0.39 4.92 0.08 -0.58 0.38 117.98 123.95 2o2l s PHE 42 Ca 0.00 -0.48 0.31 0.00 0.12 0.00 0.00 56.93 56.88 2o2l s PHE 42 Cb -0.09 -0.89 1.58 0.00 -0.57 0.00 0.00 43.02 43.05 2o2l s PHE 42 CO 0.02 0.42 2.10 1.57 -0.10 0.00 0.00 175.22 179.23 2o2l h LYS 43 N 2.80 0.00 -0.02 0.44 2.10 -1.89 -1.26 116.57 118.75 2o2l h LYS 43 Ca -0.40 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.25 2o2l h LYS 43 Cb 1.22 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.55 2o2l h LYS 43 CO 0.57 0.08 0.33 0.66 -2.00 0.00 0.00 179.45 179.09 2o2l h SER 44 N 0.00 0.00 0.00 7.07 4.64 -1.96 -3.44 113.55 119.86 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 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2o2l h SER 44 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 2o2l n GLY 45 N -1.23 1.01 3.72 -0.77 0.00 -0.47 -5.06 105.19 102.38 2o2l n GLY 45 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.26 3.84 -0.07 4.61 0.00 -1.26 -4.85 121.76 121.78 2o2l s ALA 46 Ca 0.00 1.47 0.05 0.00 0.00 0.00 0.00 51.96 53.49 2o2l s ALA 46 Cb 0.00 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 2o2l s ALA 46 CO 0.00 -0.85 -0.24 0.99 0.00 0.00 0.00 175.76 175.65 2o2l s THR 47 N 1.01 2.09 0.11 0.00 2.01 -1.26 -1.52 115.64 118.07 2o2l s THR 47 Ca 0.71 -1.04 0.02 0.00 0.31 0.00 0.00 61.69 61.69 2o2l s THR 47 Cb -0.46 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 2o2l s THR 47 CO 0.33 0.57 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.40 2o2l s PHE 48 N -0.00 0.97 0.08 4.92 0.08 0.10 -3.91 117.98 120.21 2o2l s PHE 48 Ca -0.08 -0.88 0.06 0.00 0.12 0.00 0.00 56.93 56.14 2o2l s PHE 48 Cb -0.15 -0.54 -0.03 0.00 -0.57 0.00 0.00 43.02 41.73 2o2l s PHE 48 CO 0.05 -0.10 -0.16 1.14 -0.10 0.00 0.00 175.22 176.05 2o2l s GLN 49 N -3.82 0.92 -0.16 0.44 -2.07 -0.34 -0.78 119.66 113.86 2o2l s GLN 49 Ca 0.13 -0.99 -0.08 0.00 -1.82 0.00 0.00 55.36 52.60 2o2l s GLN 49 Cb 0.05 -1.01 -0.04 0.00 -1.09 0.00 0.00 33.01 30.92 2o2l s GLN 49 CO -0.04 0.23 0.11 0.08 -1.32 0.00 0.00 175.29 174.35 2o2l s VAL 50 N -1.20 5.20 0.06 3.63 1.01 -0.54 0.27 120.40 128.83 2o2l s VAL 50 Ca 0.01 0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.17 2o2l s VAL 50 Cb -0.10 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 2o2l s VAL 50 CO 0.03 0.52 -0.20 -1.83 0.00 0.00 0.00 175.10 173.62 2o2l s GLU 51 N -0.22 1.96 0.15 2.72 -1.05 -1.26 -2.20 118.70 118.80 2o2l s GLU 51 Ca 0.10 -1.05 -0.34 0.00 -0.15 0.00 0.00 54.97 53.53 2o2l s GLU 51 Cb -0.12 -2.13 -0.15 0.00 -0.44 0.00 0.00 34.13 31.29 2o2l s GLU 51 CO 0.01 0.52 1.45 0.28 0.95 0.00 0.00 175.26 178.47 2o2l n VAL 52 N 1.44 0.21 -1.90 1.83 0.31 -1.26 -4.86 118.33 114.10 2o2l n VAL 52 Ca -0.16 -0.05 -0.38 0.00 -0.01 0.00 0.00 64.34 63.73 2o2l n VAL 52 Cb 0.52 -1.25 0.02 0.00 -0.91 0.00 0.00 33.84 32.22 2o2l n VAL 52 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2o2l s PRO 53 N 0.48 3.41 0.00 5.55 0.02 -1.26 -4.97 135.00 138.23 2o2l s PRO 53 Ca 0.78 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.97 2o2l s PRO 53 Cb -0.77 -2.39 0.00 0.00 0.02 0.00 0.00 34.50 31.36 2o2l s PRO 53 CO 0.43 -0.95 0.00 0.41 -0.33 0.00 0.00 177.00 176.56 2o2l n GLY 54 N 0.65 0.90 0.21 0.52 0.00 -1.26 -5.01 105.19 101.19 2o2l n GLY 54 Ca 0.08 -0.64 0.14 0.00 0.00 0.00 0.00 46.02 45.61 2o2l n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2o2l h SER 55 N 0.00 0.00 -0.47 1.61 4.64 -2.02 -0.28 113.55 117.02 2o2l h SER 55 Ca 0.00 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.46 2o2l h SER 55 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2o2l h SER 55 CO 0.00 0.00 0.44 1.56 -0.87 0.00 0.00 176.83 177.96 2o2l h GLN 56 N 0.00 0.00 -5.46 4.77 7.50 -1.95 -3.43 115.11 116.54 2o2l h GLN 56 Ca 0.00 0.00 -0.67 0.00 0.50 0.00 0.00 58.65 58.48 2o2l h GLN 56 Cb 0.12 0.00 -0.28 0.00 0.05 0.00 0.00 27.48 27.36 2o2l h GLN 56 CO 0.00 0.00 -0.80 -1.01 -1.50 0.00 0.00 178.83 175.52 2o2l s HIS 57 N -4.73 2.71 0.78 2.96 3.76 -0.12 -5.12 115.29 115.53 2o2l s HIS 57 Ca -0.05 -0.71 -0.11 0.00 -0.15 0.00 0.00 55.06 54.04 2o2l s HIS 57 Cb 0.17 -1.77 0.06 0.00 1.11 0.00 0.00 32.58 32.15 2o2l s HIS 57 CO 0.61 -0.23 1.09 0.96 -0.85 0.00 0.00 174.74 176.32 2o2l s ILE 58 N 0.22 3.25 0.44 0.60 -4.36 -1.26 -4.86 121.20 115.23 2o2l s ILE 58 Ca -0.11 0.41 0.14 0.00 -0.26 0.00 0.00 60.65 60.83 2o2l s ILE 58 Cb -0.16 -3.11 0.18 0.00 1.25 0.00 0.00 42.46 40.62 2o2l s ILE 58 CO 0.06 -0.53 1.98 0.44 0.24 0.00 0.00 174.94 177.13 2o2l h ASP 59 N -1.06 0.01 -0.02 4.36 5.19 -1.99 -1.98 116.42 120.92 2o2l h ASP 59 Ca -0.46 -0.00 0.01 0.00 -0.62 0.00 0.00 57.03 55.95 2o2l h ASP 59 Cb 1.25 -0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.76 2o2l h ASP 59 CO 0.58 0.20 0.02 0.28 -3.12 0.00 0.00 179.24 177.19 2o2l h SER 60 N 0.01 0.00 1.82 6.45 0.02 -2.05 -2.32 113.55 117.48 2o2l h SER 60 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2o2l h SER 60 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2o2l h SER 60 CO 0.02 0.00 0.00 1.56 -1.14 0.00 0.00 176.83 177.27 2o2l h GLN 61 N 0.00 0.00 -0.43 3.45 4.20 -1.73 -3.36 115.11 117.24 2o2l h GLN 61 Ca 0.01 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.75 2o2l h GLN 61 Cb 0.04 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 2o2l h GLN 61 CO -0.00 0.00 0.22 0.87 -0.67 0.00 0.00 178.83 179.25 2o2l h LYS 62 N 0.00 0.43 -0.35 1.46 1.79 -1.51 0.29 116.57 118.69 2o2l h LYS 62 Ca 0.00 -0.03 -0.15 0.00 -2.18 0.00 0.00 60.65 58.29 2o2l h LYS 62 Cb 0.91 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.46 2o2l h LYS 62 CO 0.00 0.29 -0.38 0.87 -1.08 0.00 0.00 179.45 179.15 2o2l h LYS 63 N 0.45 0.87 -0.09 3.15 1.57 -1.76 -3.01 116.57 117.75 2o2l h LYS 63 Ca 0.18 -0.47 -0.02 0.00 -1.87 0.00 0.00 60.65 58.47 2o2l h LYS 63 Cb 0.08 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2o2l h LYS 63 CO -0.12 1.12 -0.03 0.00 -0.57 0.00 0.00 179.45 179.84 2o2l h ALA 64 N 0.74 1.78 -0.18 3.86 0.00 -1.51 0.88 119.26 124.83 2o2l h ALA 64 Ca 0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2o2l h ALA 64 Cb 0.98 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2o2l h ALA 64 CO 0.09 0.17 -0.03 0.82 0.00 0.00 0.00 179.25 180.30 2o2l h ILE 65 N 0.13 1.28 -0.79 0.00 2.04 -0.86 0.97 117.51 120.27 2o2l h ILE 65 Ca 0.03 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 2o2l h ILE 65 Cb 0.15 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 2o2l h ILE 65 CO 0.01 0.29 0.37 -0.33 0.00 0.00 0.00 178.15 178.49 2o2l h GLU 66 N 0.07 1.13 0.08 2.37 4.39 -1.26 -2.10 114.58 119.26 2o2l h GLU 66 Ca 0.05 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.60 2o2l h GLU 66 Cb 0.45 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2o2l h GLU 66 CO 0.02 0.87 -0.14 -0.09 -1.16 0.00 0.00 179.01 178.51 2o2l h ARG 67 N 1.12 -0.26 -0.72 2.33 2.43 -0.56 -1.76 114.38 116.97 2o2l h ARG 67 Ca 0.27 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.52 2o2l h ARG 67 Cb 0.12 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.67 2o2l h ARG 67 CO -0.03 -0.17 0.41 1.98 -1.51 0.00 0.00 179.97 180.64 2o2l h MET 68 N -0.27 0.72 -0.46 0.20 4.05 -0.50 0.11 114.93 118.77 2o2l h MET 68 Ca 0.02 -0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 59.33 2o2l h MET 68 Cb 0.29 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.90 2o2l h MET 68 CO -0.08 0.47 0.01 0.87 0.23 0.00 0.00 176.91 178.42 2o2l h LYS 69 N 0.74 0.75 -0.16 0.39 1.57 -1.27 -0.35 116.57 118.24 2o2l h LYS 69 Ca 0.33 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2o2l h LYS 69 Cb 0.22 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2o2l h LYS 69 CO -0.19 0.76 0.10 -0.44 -0.57 0.00 0.00 179.45 179.10 2o2l h ASP 70 N 0.71 0.20 -0.62 0.86 3.32 -0.17 -2.11 116.42 118.61 2o2l h ASP 70 Ca 0.14 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.15 2o2l h ASP 70 Cb 0.42 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 2o2l h ASP 70 CO 0.02 0.20 0.40 0.74 -1.72 0.00 0.00 179.24 178.87 2o2l h THR 71 N 0.19 1.14 -0.71 0.35 2.02 -0.31 -2.10 112.91 113.48 2o2l h THR 71 Ca 0.06 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 2o2l h THR 71 Cb 0.03 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.66 2o2l h THR 71 CO -0.01 0.15 0.33 -0.07 0.37 0.00 0.00 175.52 176.29 2o2l h LEU 72 N 0.82 0.93 -0.07 2.58 3.38 -0.93 0.53 115.31 122.54 2o2l h LEU 72 Ca 0.23 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2o2l h LEU 72 Cb -0.07 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 2o2l h LEU 72 CO -0.06 0.81 0.03 -0.09 0.09 0.00 0.00 178.44 179.22 2o2l h ARG 73 N 0.99 0.11 -0.21 1.13 2.43 -1.03 0.19 114.38 117.99 2o2l h ARG 73 Ca 0.24 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.26 2o2l h ARG 73 Cb 0.14 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2o2l h ARG 73 CO -0.03 0.23 -0.43 0.97 -1.51 0.00 0.00 179.97 179.20 2o2l h ILE 74 N -0.04 1.31 -0.72 1.20 6.09 -1.24 -0.14 117.51 123.96 2o2l h ILE 74 Ca 0.02 -1.61 -0.02 0.00 -1.37 0.00 0.00 64.86 61.88 2o2l h ILE 74 Cb 0.17 1.62 -0.03 0.00 0.47 0.00 0.00 36.82 39.04 2o2l h ILE 74 CO -0.00 0.50 0.37 0.74 -3.07 0.00 0.00 178.15 176.70 2o2l h THR 75 N 0.42 1.23 0.09 2.19 2.02 -0.77 -1.19 112.91 116.89 2o2l h THR 75 Ca 0.03 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 2o2l h THR 75 Cb 0.93 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2o2l h THR 75 CO 0.08 0.26 -0.04 0.22 0.37 0.00 0.00 175.52 176.41 2o2l h TYR 76 N 1.01 -0.11 -0.33 3.16 3.20 -0.44 -1.70 116.97 121.74 2o2l h TYR 76 Ca 0.25 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 2o2l h TYR 76 Cb 0.08 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 2o2l h TYR 76 CO 0.00 0.17 0.12 -0.07 -1.64 0.00 0.00 178.16 176.74 2o2l h LEU 77 N -0.39 0.43 -1.34 2.82 3.38 -0.89 -2.20 115.31 117.11 2o2l h LEU 77 Ca -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2o2l h LEU 77 Cb 0.33 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2o2l h LEU 77 CO 0.02 0.41 0.00 0.35 0.09 0.00 0.00 178.44 179.30 2o2l n THR 78 N -4.39 0.24 -3.71 0.22 -2.24 -0.46 -4.93 114.28 99.01 2o2l n THR 78 Ca 0.02 -0.42 -0.28 0.00 -2.27 0.00 0.00 64.05 61.11 2o2l n THR 78 Cb 0.15 0.53 0.03 0.00 -2.10 0.00 0.00 70.33 68.94 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 0.56 -5.74 -2.81 -0.78 1.02 -0.83 -4.93 120.64 107.13 2o2l n GLU 79 Ca 0.17 0.66 -0.41 0.00 -0.02 0.00 0.00 57.16 57.57 2o2l n GLU 79 Cb 0.39 -5.57 -0.05 0.00 -0.02 0.00 0.00 31.44 26.19 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 4.52 -0.15 2.62 2.01 -0.67 -4.81 115.64 115.91 2o2l s THR 80 Ca 0.59 1.93 -0.29 0.00 0.31 0.00 0.00 61.69 64.23 2o2l s THR 80 Cb -0.29 -4.26 -0.03 0.00 0.01 0.00 0.00 72.50 67.94 2o2l s THR 80 CO 0.73 0.35 1.45 -0.75 -0.69 0.00 0.00 174.62 175.71 2o2l s LYS 81 N -0.16 4.13 0.09 4.92 2.20 -1.26 -4.26 119.74 125.39 2o2l s LYS 81 Ca 0.44 1.81 -0.28 0.00 -0.36 0.00 0.00 55.97 57.57 2o2l s LYS 81 Cb -0.23 -3.89 -0.06 0.00 -1.51 0.00 0.00 37.83 32.15 2o2l s LYS 81 CO 0.28 -0.87 0.87 0.42 -0.36 0.00 0.00 175.35 175.69 2o2l s ILE 82 N 3.99 4.57 -0.03 5.43 1.01 -0.01 -4.24 121.20 131.93 2o2l s ILE 82 Ca 0.63 1.88 -0.01 0.00 0.00 0.00 0.00 60.65 63.15 2o2l s ILE 82 Cb -0.26 -4.23 -0.00 0.00 0.01 0.00 0.00 42.46 37.98 2o2l s ILE 82 CO 0.22 0.35 -0.02 -0.78 0.00 0.00 0.00 174.94 174.72 2o2l h ASP 83 N 5.50 0.00 -3.90 3.58 3.58 -0.79 -0.42 116.42 123.97 2o2l h ASP 83 Ca -0.44 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 56.67 2o2l h ASP 83 Cb 1.21 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 42.11 2o2l h ASP 83 CO 0.71 0.14 -0.71 -0.54 -2.88 0.00 0.00 179.24 175.97 2o2l s LYS 84 N -1.20 1.12 -0.09 0.28 1.02 -0.93 -0.70 119.74 119.24 2o2l s LYS 84 Ca -0.02 -1.49 0.00 0.00 0.02 0.00 0.00 55.97 54.48 2o2l s LYS 84 Cb 0.00 -0.65 0.02 0.00 -0.52 0.00 0.00 37.83 36.68 2o2l s LYS 84 CO 0.02 0.06 -0.06 -0.51 -0.92 0.00 0.00 175.35 173.94 2o2l s LEU 85 N -3.20 1.16 -0.16 3.17 1.43 -0.20 -0.95 118.68 119.93 2o2l s LEU 85 Ca 0.19 -0.23 -0.18 0.00 -1.03 0.00 0.00 54.13 52.88 2o2l s LEU 85 Cb 0.03 -0.70 -0.04 0.00 0.03 0.00 0.00 46.19 45.51 2o2l s LEU 85 CO 0.02 -0.10 0.46 0.00 0.23 0.00 0.00 176.35 176.96 2o2l s VAL 87 N 1.06 0.19 -0.32 0.00 -7.23 -0.25 0.62 120.40 114.48 2o2l s VAL 87 Ca 0.23 -1.59 -0.18 0.00 -1.81 0.00 0.00 61.98 58.64 2o2l s VAL 87 Cb -0.15 -1.35 -0.01 0.00 0.56 0.00 0.00 36.38 35.43 2o2l s VAL 87 CO 0.09 -0.88 0.52 0.26 -0.31 0.00 0.00 175.10 174.79 2o2l s TRP 88 N -3.63 3.21 -2.17 2.82 0.51 0.11 -1.48 118.94 118.30 2o2l s TRP 88 Ca 0.04 0.37 0.29 0.00 -2.12 0.00 0.00 56.10 54.68 2o2l s TRP 88 Cb 0.05 -2.87 1.31 0.00 -0.81 0.00 0.00 33.47 31.15 2o2l s TRP 88 CO -0.09 -0.45 1.89 0.27 -0.51 0.00 0.00 176.95 178.06 2o2l n ASN 89 N 5.70 0.87 -0.21 2.95 0.23 -0.72 -2.25 115.26 121.82 2o2l n ASN 89 Ca -0.04 -1.17 0.14 0.00 -0.53 0.00 0.00 54.58 52.98 2o2l n ASN 89 Cb 0.49 -0.00 0.61 0.00 -2.08 0.00 0.00 39.78 38.80 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 -0.40 0.75 -4.64 0.53 6.94 -1.26 -4.87 115.26 112.30 2o2l n ASN 90 Ca 0.19 -0.93 -0.23 0.00 -0.02 0.00 0.00 54.58 53.59 2o2l n ASN 90 Cb 0.27 -0.01 -0.07 0.00 -2.36 0.00 0.00 39.78 37.61 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 -2.28 2.28 -0.12 -3.83 3.01 -1.25 -5.10 119.74 112.45 2o2l s LYS 91 Ca 0.34 -1.42 0.00 0.00 -1.01 0.00 0.00 55.97 53.88 2o2l s LYS 91 Cb 0.20 -2.15 0.02 0.00 -1.01 0.00 0.00 37.83 34.89 2o2l s LYS 91 CO 0.43 0.37 -0.10 0.99 0.51 0.00 0.00 175.35 177.54 2o2l s THR 92 N -2.31 1.23 0.99 2.17 2.01 -1.26 -2.82 115.64 115.66 2o2l s THR 92 Ca 0.31 -0.43 -0.13 0.00 0.31 0.00 0.00 61.69 61.75 2o2l s THR 92 Cb -0.06 -1.20 0.18 0.00 0.01 0.00 0.00 72.50 71.43 2o2l s THR 92 CO 0.20 0.40 1.12 -2.16 -0.69 0.00 0.00 174.62 173.48 2o2l s PRO 93 N 1.51 0.47 0.51 4.92 0.04 -1.26 -5.06 135.00 136.13 2o2l s PRO 93 Ca 0.03 0.33 -0.22 0.00 0.04 0.00 0.00 61.00 61.18 2o2l s PRO 93 Cb -0.13 -1.76 -0.07 0.00 0.04 0.00 0.00 34.50 32.59 2o2l s PRO 93 CO -0.08 -2.66 1.23 0.09 0.04 0.00 0.00 177.00 175.62 2o2l n ASN 94 N -4.10 2.16 -4.75 6.66 5.03 -1.13 -4.52 115.26 114.62 2o2l n ASN 94 Ca 0.07 0.99 -0.35 0.00 0.87 0.00 0.00 54.58 56.15 2o2l n ASN 94 Cb 0.58 -1.50 -0.08 0.00 -1.02 0.00 0.00 39.78 37.76 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 -0.85 6.19 -0.00 6.41 0.15 -0.95 -1.20 113.70 123.44 2o2l s SER 95 Ca 0.69 0.26 -0.30 0.00 0.70 0.00 0.00 55.95 57.29 2o2l s SER 95 Cb -0.45 -2.07 -0.04 0.00 -1.71 0.00 0.00 66.02 61.74 2o2l s SER 95 CO 0.52 0.22 1.21 -0.63 1.20 0.00 0.00 173.24 175.76 2o2l s ILE 96 N 0.11 4.14 -0.20 6.45 1.01 0.14 0.05 121.20 132.90 2o2l s ILE 96 Ca 0.09 1.50 -0.03 0.00 0.00 0.00 0.00 60.65 62.22 2o2l s ILE 96 Cb -0.11 -3.97 -0.11 0.00 0.01 0.00 0.00 42.46 38.28 2o2l s ILE 96 CO -0.01 0.05 -0.20 0.00 0.00 0.00 0.00 174.94 174.78 2o2l n ALA 97 N 4.65 1.61 -2.71 9.38 0.00 0.20 -4.87 120.51 128.78 2o2l n ALA 97 Ca 0.10 -0.82 -0.10 0.00 0.00 0.00 0.00 53.44 52.62 2o2l n ALA 97 Cb 0.46 0.12 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.38 0.08 -0.05 0.00 0.00 -0.64 -4.98 121.76 113.79 2o2l s ALA 98 Ca -0.27 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 50.69 2o2l s ALA 98 Cb 0.08 0.91 0.01 0.00 0.00 0.00 0.00 23.12 24.13 2o2l s ALA 98 CO 0.42 -0.66 0.13 -1.50 0.00 0.00 0.00 175.76 174.15 2o2l s ILE 99 N -3.99 0.00 -0.00 0.00 2.07 -1.26 -0.75 121.20 117.27 2o2l s ILE 99 Ca 0.19 -0.02 0.05 0.00 -1.41 0.00 0.00 60.65 59.47 2o2l s ILE 99 Cb 0.03 -0.19 -0.01 0.00 0.13 0.00 0.00 42.46 42.42 2o2l s ILE 99 CO 0.02 -0.01 -0.16 -0.94 -1.91 0.00 0.00 174.94 171.94 2o2l s SER 100 N 0.04 1.88 -0.07 4.50 1.04 -0.12 -4.99 113.70 115.97 2o2l s SER 100 Ca -0.00 -0.32 0.02 0.00 0.48 0.00 0.00 55.95 56.13 2o2l s SER 100 Cb -0.01 -0.19 0.01 0.00 0.10 0.00 0.00 66.02 65.93 2o2l s SER 100 CO 0.00 0.17 -0.13 -0.04 0.98 0.00 0.00 173.24 174.23 2o2l s MET 101 N -0.52 1.80 -0.08 4.02 -1.94 -1.26 -0.08 119.30 121.23 2o2l s MET 101 Ca 0.06 -0.44 0.01 0.00 -1.71 0.00 0.00 55.69 53.61 2o2l s MET 101 Cb -0.06 -1.49 0.02 0.00 2.01 0.00 0.00 34.83 35.30 2o2l s MET 101 CO -0.00 0.02 -0.10 -2.00 -0.01 0.00 0.00 175.02 172.92 2o2l s GLU 102 N 0.71 1.60 0.00 2.03 2.12 -1.26 -4.88 118.70 119.02 2o2l s GLU 102 Ca -0.14 -0.34 0.00 0.00 0.36 0.00 0.00 54.97 54.86 2o2l s GLU 102 Cb -0.16 -1.46 0.00 0.00 0.26 0.00 0.00 34.13 32.77 2o2l s GLU 102 CO 0.03 -0.10 0.00 1.17 -0.54 0.00 0.00 175.26 175.82