#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lts n PRO 2 N 0.00 1.00 0.00 0.00 -0.02 -1.26 -4.96 135.00 129.76 1lts n PRO 2 Ca 0.00 0.37 0.05 0.00 -2.02 0.00 0.00 63.50 61.90 1lts n PRO 2 Cb 0.00 -1.98 -0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1lts n PRO 2 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1lts n GLN 3 N -0.22 2.16 -3.89 -0.52 1.13 -1.26 -4.98 117.38 109.81 1lts n GLN 3 Ca 0.11 -0.58 -0.09 0.00 -1.94 0.00 0.00 57.00 54.51 1lts n GLN 3 Cb 0.43 -1.08 -0.07 0.00 0.11 0.00 0.00 30.24 29.64 1lts n GLN 3 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1lts s THR 4 N -1.39 0.11 0.43 5.09 -4.23 -1.26 -5.05 115.64 109.34 1lts s THR 4 Ca 0.08 -1.24 0.16 0.00 -1.18 0.00 0.00 61.69 59.51 1lts s THR 4 Cb 0.08 -1.53 0.19 0.00 1.34 0.00 0.00 72.50 72.57 1lts s THR 4 CO 0.26 -0.50 1.98 -0.29 -0.54 0.00 0.00 174.62 175.53 1lts h ILE 5 N 2.65 1.07 -0.17 2.99 2.10 -1.95 -2.40 117.51 121.80 1lts h ILE 5 Ca -0.33 -0.71 -0.07 0.00 1.08 0.00 0.00 64.86 64.83 1lts h ILE 5 Cb 1.21 1.39 -0.00 0.00 -1.09 0.00 0.00 36.82 38.33 1lts h ILE 5 CO 0.53 0.20 -0.16 0.71 -1.08 0.00 0.00 178.15 178.34 1lts h THR 6 N 0.00 1.34 -0.23 2.19 1.35 -1.98 -0.11 112.91 115.46 1lts h THR 6 Ca -0.00 -1.32 0.06 0.00 -0.55 0.00 0.00 66.41 64.60 1lts h THR 6 Cb 0.38 1.83 -0.07 0.00 -1.73 0.00 0.00 68.15 68.56 1lts h THR 6 CO 0.03 0.39 -0.21 -0.33 -0.25 0.00 0.00 175.52 175.15 1lts h GLU 7 N 0.05 -0.21 -0.38 4.72 5.08 -1.96 -0.86 114.58 121.02 1lts h GLU 7 Ca 0.03 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1lts h GLU 7 Cb 0.70 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1lts h GLU 7 CO 0.04 -0.14 0.14 1.25 -1.00 0.00 0.00 179.01 179.30 1lts h LEU 8 N -0.22 0.53 -0.69 1.33 6.46 -1.44 -3.22 115.31 118.06 1lts h LEU 8 Ca 0.13 -0.17 -0.03 0.00 -0.12 0.00 0.00 57.88 57.69 1lts h LEU 8 Cb 0.42 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 1lts h LEU 8 CO -0.36 0.56 0.33 0.00 -0.62 0.00 0.00 178.44 178.34 1lts n SER 10 N -4.44 0.00 -0.11 0.00 7.64 -0.37 -2.88 113.62 113.46 1lts n SER 10 Ca 0.05 0.37 0.15 0.00 1.01 0.00 0.00 58.87 60.45 1lts n SER 10 Cb 0.13 -0.40 0.69 0.00 -1.01 0.00 0.00 64.21 63.63 1lts n SER 10 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1lts n GLU 11 N -1.40 0.81 -4.45 1.43 -0.58 -0.94 -4.93 120.64 110.58 1lts n GLU 11 Ca 0.01 -0.22 -0.24 0.00 -0.42 0.00 0.00 57.16 56.29 1lts n GLU 11 Cb 0.04 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.31 1lts n GLU 11 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1lts s TYR 12 N -2.35 2.26 0.28 -0.32 1.51 -1.14 -5.12 117.35 112.48 1lts s TYR 12 Ca 0.33 -0.35 -0.21 0.00 -1.01 0.00 0.00 57.07 55.84 1lts s TYR 12 Cb 0.21 -1.01 -0.09 0.00 -0.11 0.00 0.00 41.96 40.95 1lts s TYR 12 CO 0.44 0.65 0.80 1.03 -1.11 0.00 0.00 175.55 177.36 1lts s ARG 13 N -3.33 4.29 -1.15 -0.62 0.52 -1.26 -4.28 118.95 113.13 1lts s ARG 13 Ca 0.28 0.97 -0.00 0.00 -0.52 0.00 0.00 55.73 56.45 1lts s ARG 13 Cb -0.05 -2.72 0.00 0.00 0.52 0.00 0.00 34.95 32.69 1lts s ARG 13 CO 0.13 0.29 0.06 0.09 0.02 0.00 0.00 175.30 175.90 1lts n ASN 14 N 0.38 -4.28 -4.76 0.23 4.13 -1.26 -4.99 115.26 104.71 1lts n ASN 14 Ca 0.01 -0.04 -0.22 0.00 1.68 0.00 0.00 54.58 56.00 1lts n ASN 14 Cb 0.51 -3.41 -0.05 0.00 -1.54 0.00 0.00 39.78 35.29 1lts n ASN 14 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1lts s THR 15 N -2.73 3.82 -0.08 3.41 -4.23 -1.26 -1.43 115.64 113.15 1lts s THR 15 Ca 0.03 -1.60 -0.06 0.00 -1.18 0.00 0.00 61.69 58.89 1lts s THR 15 Cb -0.01 -3.14 0.03 0.00 1.34 0.00 0.00 72.50 70.71 1lts s THR 15 CO 0.04 -0.31 0.20 -1.58 -0.54 0.00 0.00 174.62 172.42 1lts s GLN 16 N -3.81 0.20 0.08 3.99 0.74 -0.40 -4.86 119.66 115.61 1lts s GLN 16 Ca 0.34 0.34 -0.27 0.00 0.05 0.00 0.00 55.36 55.82 1lts s GLN 16 Cb -0.06 0.02 -0.06 0.00 1.10 0.00 0.00 33.01 34.01 1lts s GLN 16 CO 0.23 -0.08 0.86 0.42 -0.55 0.00 0.00 175.29 176.17 1lts s ILE 17 N 0.51 4.60 -0.16 -2.34 -1.09 -1.26 -1.30 121.20 120.16 1lts s ILE 17 Ca -0.03 1.84 0.01 0.00 -2.23 0.00 0.00 60.65 60.23 1lts s ILE 17 Cb -0.05 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 36.62 1lts s ILE 17 CO -0.03 0.35 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.56 1lts s TYR 18 N -0.11 2.76 -0.29 3.97 1.51 0.15 -4.99 117.35 120.35 1lts s TYR 18 Ca 0.42 -1.22 -0.19 0.00 -1.01 0.00 0.00 57.07 55.07 1lts s TYR 18 Cb -0.22 -1.89 -0.02 0.00 -0.11 0.00 0.00 41.96 39.73 1lts s TYR 18 CO 0.26 -0.57 0.57 0.99 -1.11 0.00 0.00 175.55 175.68 1lts s THR 19 N 0.94 5.00 -0.26 -0.71 2.01 -1.26 -1.08 115.64 120.28 1lts s THR 19 Ca -0.03 0.79 -0.15 0.00 0.31 0.00 0.00 61.69 62.61 1lts s THR 19 Cb -0.15 -3.92 -0.11 0.00 0.01 0.00 0.00 72.50 68.33 1lts s THR 19 CO -0.03 -0.06 -0.34 -0.38 -0.69 0.00 0.00 174.62 173.12 1lts n ILE 20 N 5.30 1.52 -4.02 1.82 2.08 0.12 -4.99 119.36 121.19 1lts n ILE 20 Ca -0.03 -0.29 -0.33 0.00 0.56 0.00 0.00 62.75 62.67 1lts n ILE 20 Cb 0.49 -1.97 -0.02 0.00 -0.75 0.00 0.00 39.64 37.40 1lts n ILE 20 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1lts n ASN 21 N -4.29 -1.83 -3.55 4.38 4.05 -0.34 -4.96 115.26 108.71 1lts n ASN 21 Ca -0.47 -1.14 -0.09 0.00 0.45 0.00 0.00 54.58 53.32 1lts n ASN 21 Cb 0.82 -2.46 -0.02 0.00 1.23 0.00 0.00 39.78 39.35 1lts n ASN 21 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1lts s ASP 22 N -4.01 -0.42 0.54 1.20 2.15 -0.93 -4.92 116.67 110.28 1lts s ASP 22 Ca 0.20 -0.15 -0.06 0.00 0.43 0.00 0.00 52.55 52.98 1lts s ASP 22 Cb -0.09 0.55 -0.01 0.00 -0.30 0.00 0.00 42.92 43.06 1lts s ASP 22 CO 0.93 -0.93 0.85 -1.59 -0.17 0.00 0.00 175.17 174.26 1lts s LYS 23 N -3.56 3.24 0.24 4.34 -2.85 -1.26 -0.72 119.74 119.17 1lts s LYS 23 Ca 0.05 0.12 -0.30 0.00 -1.00 0.00 0.00 55.97 54.83 1lts s LYS 23 Cb -0.02 -2.31 -0.10 0.00 -2.06 0.00 0.00 37.83 33.33 1lts s LYS 23 CO -0.07 -0.46 1.48 0.42 0.10 0.00 0.00 175.35 176.82 1lts s ILE 24 N -2.88 2.57 -0.16 3.79 1.01 -1.26 -4.70 121.20 119.56 1lts s ILE 24 Ca 0.51 0.47 -0.25 0.00 0.00 0.00 0.00 60.65 61.38 1lts s ILE 24 Cb -0.10 -3.30 -0.22 0.00 0.01 0.00 0.00 42.46 38.85 1lts s ILE 24 CO 0.45 0.07 0.55 0.25 0.00 0.00 0.00 174.94 176.26 1lts h LEU 25 N 5.25 0.00 -8.28 2.97 5.85 -1.27 -3.48 115.31 116.34 1lts h LEU 25 Ca -0.46 -0.78 -0.23 0.00 0.84 0.00 0.00 57.88 57.26 1lts h LEU 25 Cb 1.22 0.00 -0.18 0.00 0.37 0.00 0.00 40.66 42.07 1lts h LEU 25 CO 0.80 1.10 -0.71 -0.94 -0.34 0.00 0.00 178.44 178.35 1lts s SER 26 N -6.34 0.89 -0.10 1.25 1.04 -1.18 -4.97 113.70 104.29 1lts s SER 26 Ca -0.21 -0.80 0.02 0.00 0.48 0.00 0.00 55.95 55.44 1lts s SER 26 Cb -0.00 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.22 1lts s SER 26 CO 0.61 -0.37 -0.16 -0.47 0.98 0.00 0.00 173.24 173.83 1lts s TYR 27 N -2.67 1.99 -0.05 5.02 5.04 -1.26 -2.37 117.35 123.04 1lts s TYR 27 Ca 0.01 -0.91 0.05 0.00 -2.44 0.00 0.00 57.07 53.78 1lts s TYR 27 Cb -0.01 -1.42 -0.00 0.00 0.35 0.00 0.00 41.96 40.87 1lts s TYR 27 CO -0.03 -0.46 -0.19 0.99 -1.34 0.00 0.00 175.55 174.52 1lts s THR 28 N 0.89 1.59 -0.09 4.34 2.01 -0.31 -5.00 115.64 119.06 1lts s THR 28 Ca -0.09 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.12 1lts s THR 28 Cb -0.15 -1.36 0.02 0.00 0.01 0.00 0.00 72.50 71.02 1lts s THR 28 CO -0.00 0.45 -0.10 -0.70 -0.69 0.00 0.00 174.62 173.59 1lts s GLU 29 N 0.05 1.59 -0.05 4.92 2.12 -1.26 -0.81 118.70 125.26 1lts s GLU 29 Ca -0.05 -0.32 0.04 0.00 0.36 0.00 0.00 54.97 54.99 1lts s GLU 29 Cb -0.13 -1.50 -0.03 0.00 0.26 0.00 0.00 34.13 32.74 1lts s GLU 29 CO 0.03 -0.14 -0.15 0.45 -0.54 0.00 0.00 175.26 174.91 1lts s SER 30 N 1.25 3.95 0.00 -1.70 0.15 -0.39 -4.97 113.70 111.99 1lts s SER 30 Ca -0.04 -0.22 0.02 0.00 0.70 0.00 0.00 55.95 56.41 1lts s SER 30 Cb -0.14 -0.82 0.04 0.00 -1.71 0.00 0.00 66.02 63.39 1lts s SER 30 CO -0.03 0.34 0.86 0.80 1.20 0.00 0.00 173.24 176.41 1lts n MET 31 N 2.33 1.62 -2.18 5.44 0.00 -1.26 -3.09 117.12 119.98 1lts n MET 31 Ca -0.17 -1.23 -0.41 0.00 0.00 0.00 0.00 57.70 55.88 1lts n MET 31 Cb 0.52 -1.04 -0.03 0.00 0.00 0.00 0.00 33.22 32.67 1lts n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1lts s ALA 32 N -0.69 3.55 0.10 -5.12 0.00 -1.26 -4.83 121.76 113.51 1lts s ALA 32 Ca 0.03 1.14 -0.36 0.00 0.00 0.00 0.00 51.96 52.77 1lts s ALA 32 Cb 0.02 -3.50 -0.16 0.00 0.00 0.00 0.00 23.12 19.47 1lts s ALA 32 CO 0.02 -0.58 1.41 0.41 0.00 0.00 0.00 175.76 177.02 1lts n GLY 33 N 2.60 0.64 3.29 0.00 0.00 -1.26 -0.28 105.19 110.17 1lts n GLY 33 Ca 0.07 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.79 1lts n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lts n LYS 34 N 2.80 -0.00 -2.66 1.61 4.76 -1.26 -4.82 118.16 118.58 1lts n LYS 34 Ca 0.18 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.54 1lts n LYS 34 Cb 0.21 -3.08 0.04 0.00 -1.84 0.00 0.00 35.03 30.36 1lts n LYS 34 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1lts n ARG 35 N -2.00 1.89 -2.64 1.97 3.00 0.61 -4.96 116.66 114.53 1lts n ARG 35 Ca 0.00 -3.58 -0.42 0.00 -0.00 0.00 0.00 57.85 53.85 1lts n ARG 35 Cb 0.00 -1.62 -0.02 0.00 0.00 0.00 0.00 32.46 30.83 1lts n ARG 35 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1lts s GLU 36 N -3.54 3.78 0.26 -0.14 8.01 -1.15 -4.20 118.70 121.72 1lts s GLU 36 Ca 0.31 -1.64 0.01 0.00 0.01 0.00 0.00 54.97 53.66 1lts s GLU 36 Cb 0.38 -5.35 -0.03 0.00 -4.31 0.00 0.00 34.13 24.82 1lts s GLU 36 CO -0.02 -2.14 0.23 0.00 0.01 0.00 0.00 175.26 173.34 1lts s MET 37 N 4.16 1.46 -0.03 1.61 0.23 -1.18 -4.25 119.30 121.30 1lts s MET 37 Ca 0.47 -1.74 0.05 0.00 -1.03 0.00 0.00 55.69 53.44 1lts s MET 37 Cb 0.01 0.32 -0.01 0.00 -1.53 0.00 0.00 34.83 33.62 1lts s MET 37 CO -0.02 -0.52 -0.16 0.08 -2.03 0.00 0.00 175.02 172.36 1lts s VAL 38 N -3.83 1.34 -0.10 5.16 1.01 -1.25 -1.27 120.40 121.47 1lts s VAL 38 Ca 0.38 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1lts s VAL 38 Cb 0.04 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.28 1lts s VAL 38 CO 0.17 0.39 -0.23 -0.63 0.00 0.00 0.00 175.10 174.80 1lts s ILE 39 N -0.13 2.01 0.14 2.22 1.01 0.01 -2.04 121.20 124.42 1lts s ILE 39 Ca 0.00 -0.99 0.11 0.00 0.00 0.00 0.00 60.65 59.77 1lts s ILE 39 Cb -0.09 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 1lts s ILE 39 CO 0.01 0.55 -0.25 0.27 0.00 0.00 0.00 174.94 175.52 1lts s ILE 40 N 0.32 2.39 0.19 2.92 -4.36 -0.53 -1.17 121.20 120.96 1lts s ILE 40 Ca -0.18 -1.76 0.07 0.00 -0.26 0.00 0.00 60.65 58.52 1lts s ILE 40 Cb -0.18 -2.08 -0.05 0.00 1.25 0.00 0.00 42.46 41.41 1lts s ILE 40 CO 0.08 0.05 -0.13 0.42 0.24 0.00 0.00 174.94 175.60 1lts s THR 41 N -1.18 1.61 0.33 8.37 -4.23 -1.00 -1.66 115.64 117.88 1lts s THR 41 Ca 0.16 -2.17 0.10 0.00 -1.18 0.00 0.00 61.69 58.59 1lts s THR 41 Cb -0.10 -2.00 -0.06 0.00 1.34 0.00 0.00 72.50 71.69 1lts s THR 41 CO 0.07 -0.63 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.10 1lts s PHE 42 N -3.04 2.45 0.49 3.99 0.08 0.04 -0.75 117.98 121.22 1lts s PHE 42 Ca 0.21 -0.44 0.19 0.00 0.12 0.00 0.00 56.93 57.01 1lts s PHE 42 Cb -0.00 -1.36 1.22 0.00 -0.57 0.00 0.00 43.02 42.31 1lts s PHE 42 CO 0.05 0.57 2.00 0.87 -0.10 0.00 0.00 175.22 178.61 1lts h LYS 43 N 1.97 0.18 0.00 0.44 1.79 -1.89 -0.26 116.57 118.80 1lts h LYS 43 Ca -0.42 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 1lts h LYS 43 Cb 1.25 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1lts h LYS 43 CO 0.67 0.12 0.05 0.66 -1.08 0.00 0.00 179.45 179.87 1lts h SER 44 N 0.18 0.00 0.00 0.86 4.64 -1.97 -3.44 113.55 113.82 1lts h SER 44 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1lts h SER 44 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1lts h SER 44 CO -0.04 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.53 1lts n GLY 45 N -1.24 0.69 3.73 -0.77 0.00 -0.11 -5.05 105.19 102.43 1lts n GLY 45 Ca -0.02 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 1lts n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lts s GLU 46 N -0.55 4.36 -0.08 1.61 2.02 -1.24 -4.83 118.70 119.99 1lts s GLU 46 Ca 0.00 0.64 0.02 0.00 0.02 0.00 0.00 54.97 55.65 1lts s GLU 46 Cb 0.00 -3.42 -0.02 0.00 0.10 0.00 0.00 34.13 30.79 1lts s GLU 46 CO 0.00 0.17 -0.12 0.99 0.02 0.00 0.00 175.26 176.32 1lts s THR 47 N 0.51 3.23 0.04 3.63 2.01 -1.26 -0.78 115.64 123.01 1lts s THR 47 Ca 0.31 -0.64 -0.00 0.00 0.31 0.00 0.00 61.69 61.66 1lts s THR 47 Cb -0.17 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.01 1lts s THR 47 CO 0.14 0.57 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.25 1lts s PHE 48 N -0.42 0.45 0.20 4.92 0.08 -0.66 -4.16 117.98 118.40 1lts s PHE 48 Ca 0.05 -0.81 0.03 0.00 0.12 0.00 0.00 56.93 56.32 1lts s PHE 48 Cb -0.12 -0.32 -0.05 0.00 -0.57 0.00 0.00 43.02 41.96 1lts s PHE 48 CO 0.02 -0.27 -0.02 1.14 -0.10 0.00 0.00 175.22 175.99 1lts s GLN 49 N -2.81 1.22 -0.19 0.44 -2.07 -0.77 -1.46 119.66 114.03 1lts s GLN 49 Ca -0.03 -1.59 -0.03 0.00 -1.82 0.00 0.00 55.36 51.89 1lts s GLN 49 Cb -0.00 -0.53 -0.01 0.00 -1.09 0.00 0.00 33.01 31.38 1lts s GLN 49 CO -0.05 -0.07 -0.06 0.08 -1.32 0.00 0.00 175.29 173.86 1lts s VAL 50 N -3.46 3.39 0.48 3.63 1.01 -0.86 -0.99 120.40 123.58 1lts s VAL 50 Ca 0.25 -0.51 -0.20 0.00 0.00 0.00 0.00 61.98 61.52 1lts s VAL 50 Cb 0.05 -2.51 -0.09 0.00 0.00 0.00 0.00 36.38 33.84 1lts s VAL 50 CO 0.06 0.46 1.01 -1.83 0.00 0.00 0.00 175.10 174.80 1lts s GLU 51 N 1.04 3.90 0.27 2.72 -1.05 -1.26 -3.79 118.70 120.54 1lts s GLU 51 Ca 0.00 1.26 -0.29 0.00 -0.15 0.00 0.00 54.97 55.79 1lts s GLU 51 Cb -0.15 -2.12 -0.14 0.00 -0.44 0.00 0.00 34.13 31.29 1lts s GLU 51 CO -0.00 -0.33 1.13 0.28 0.95 0.00 0.00 175.26 177.28 1lts n VAL 52 N -0.97 1.69 -2.05 1.83 0.31 -1.26 -4.91 118.33 112.96 1lts n VAL 52 Ca 0.08 -0.42 -0.41 0.00 -0.01 0.00 0.00 64.34 63.59 1lts n VAL 52 Cb 0.53 -1.12 -0.02 0.00 -0.91 0.00 0.00 33.84 32.32 1lts n VAL 52 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1lts s PRO 53 N -1.27 4.30 0.26 5.55 0.02 -1.26 -5.02 135.00 137.58 1lts s PRO 53 Ca 0.62 2.29 -0.19 0.00 0.02 0.00 0.00 61.00 63.73 1lts s PRO 53 Cb -0.70 -3.05 0.02 0.00 0.02 0.00 0.00 34.50 30.79 1lts s PRO 53 CO 0.58 -0.26 0.64 0.20 -0.33 0.00 0.00 177.00 177.83 1lts s GLY 54 N -0.39 0.01 0.55 0.52 0.00 -1.26 -5.05 107.32 101.69 1lts s GLY 54 Ca 0.50 -0.37 0.36 0.00 0.00 0.00 0.00 44.72 45.21 1lts s GLY 54 CO 0.55 -0.20 2.11 1.48 0.00 0.00 0.00 173.10 177.03 1lts h SER 55 N 2.07 0.00 1.10 1.64 4.64 -2.02 0.31 113.55 121.29 1lts h SER 55 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1lts h SER 55 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1lts h SER 55 CO 0.28 0.00 0.00 0.06 -0.87 0.00 0.00 176.83 176.30 1lts h GLN 56 N 0.00 0.00 -5.22 4.77 -0.00 -1.99 -3.43 115.11 109.25 1lts h GLN 56 Ca 0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 58.65 58.04 1lts h GLN 56 Cb 0.12 0.00 -0.13 0.00 -0.00 0.00 0.00 27.48 27.46 1lts h GLN 56 CO 0.00 0.00 -0.41 -1.01 -0.00 0.00 0.00 178.83 177.41 1lts s HIS 57 N -3.24 3.35 0.65 0.06 3.76 0.11 -5.05 115.29 114.93 1lts s HIS 57 Ca 0.07 0.36 -0.16 0.00 -0.15 0.00 0.00 55.06 55.18 1lts s HIS 57 Cb 0.10 -2.33 -0.00 0.00 1.11 0.00 0.00 32.58 31.46 1lts s HIS 57 CO 0.50 0.07 1.13 0.96 -0.85 0.00 0.00 174.74 176.55 1lts s ILE 58 N 1.04 3.04 0.55 0.60 -4.36 -1.26 -4.80 121.20 116.01 1lts s ILE 58 Ca 0.11 0.52 0.24 0.00 -0.26 0.00 0.00 60.65 61.26 1lts s ILE 58 Cb -0.14 -3.07 0.33 0.00 1.25 0.00 0.00 42.46 40.84 1lts s ILE 58 CO 0.05 -0.26 2.14 -0.78 0.24 0.00 0.00 174.94 176.32 1lts h ASP 59 N 0.20 0.00 -0.51 4.36 1.82 -1.98 1.00 116.42 121.31 1lts h ASP 59 Ca -0.48 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.11 1lts h ASP 59 Cb 1.26 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.25 1lts h ASP 59 CO 0.54 0.00 0.12 0.77 -1.61 0.00 0.00 179.24 179.06 1lts h SER 60 N 0.00 0.78 0.42 2.28 4.64 -2.00 -1.29 113.55 118.38 1lts h SER 60 Ca 0.06 -0.23 -0.11 0.00 -0.47 0.00 0.00 61.79 61.04 1lts h SER 60 Cb 0.29 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1lts h SER 60 CO -0.00 0.81 -0.49 1.56 -0.87 0.00 0.00 176.83 177.84 1lts h GLN 61 N 0.71 0.08 -0.31 4.77 4.20 -1.25 -1.29 115.11 122.03 1lts h GLN 61 Ca 0.16 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 1lts h GLN 61 Cb 0.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1lts h GLN 61 CO 0.00 0.56 0.07 0.87 -0.67 0.00 0.00 178.83 179.66 1lts h LYS 62 N 0.07 0.49 -0.33 1.46 6.56 -0.62 0.78 116.57 124.97 1lts h LYS 62 Ca 0.00 -0.12 -0.07 0.00 -1.06 0.00 0.00 60.65 59.40 1lts h LYS 62 Cb 0.89 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 32.47 1lts h LYS 62 CO 0.07 0.57 -0.07 0.87 -2.06 0.00 0.00 179.45 178.83 1lts h LYS 63 N 0.33 0.55 0.00 3.15 1.57 -1.00 -2.83 116.57 118.34 1lts h LYS 63 Ca 0.10 -0.14 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 1lts h LYS 63 Cb 0.30 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1lts h LYS 63 CO 0.00 0.62 -0.62 0.00 -0.57 0.00 0.00 179.45 178.88 1lts h ALA 64 N 1.42 0.84 -0.43 3.86 0.00 -0.80 -1.90 119.26 122.24 1lts h ALA 64 Ca 0.10 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 1lts h ALA 64 Cb 0.44 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1lts h ALA 64 CO 0.02 0.78 -0.18 0.82 0.00 0.00 0.00 179.25 180.69 1lts h ILE 65 N 0.00 1.27 -0.31 0.00 2.04 -0.62 -1.48 117.51 118.41 1lts h ILE 65 Ca -0.01 -1.29 -0.18 0.00 1.00 0.00 0.00 64.86 64.38 1lts h ILE 65 Cb 1.20 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1lts h ILE 65 CO 0.08 0.44 -0.51 -0.33 0.00 0.00 0.00 178.15 177.83 1lts h GLU 66 N 0.73 0.89 -0.48 2.37 4.39 -1.37 -2.45 114.58 118.68 1lts h GLU 66 Ca 0.11 -0.55 0.03 0.00 0.34 0.00 0.00 59.36 59.29 1lts h GLU 66 Cb 0.70 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.37 1lts h GLU 66 CO 0.05 1.19 0.26 -0.09 -1.16 0.00 0.00 179.01 179.26 1lts h ARG 67 N 0.69 0.50 -0.80 2.33 2.43 -1.15 -2.18 114.38 116.19 1lts h ARG 67 Ca 0.02 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1lts h ARG 67 Cb 1.12 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.52 1lts h ARG 67 CO 0.12 0.33 0.52 1.98 -1.51 0.00 0.00 179.97 181.41 1lts h MET 68 N 0.52 1.07 -0.42 0.20 4.05 -1.15 0.52 114.93 119.71 1lts h MET 68 Ca 0.20 -0.07 -0.08 0.00 -0.28 0.00 0.00 59.70 59.47 1lts h MET 68 Cb 0.07 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 30.61 1lts h MET 68 CO -0.12 0.72 -0.08 0.87 0.23 0.00 0.00 176.91 178.53 1lts h LYS 69 N 1.09 0.73 -0.52 0.39 1.57 -1.27 -0.41 116.57 118.15 1lts h LYS 69 Ca 0.29 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1lts h LYS 69 Cb -0.11 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 1lts h LYS 69 CO -0.06 0.79 0.30 -0.44 -0.57 0.00 0.00 179.45 179.47 1lts h ASP 70 N 0.67 0.63 -0.76 0.86 3.32 -0.72 -2.10 116.42 118.32 1lts h ASP 70 Ca 0.12 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 1lts h ASP 70 Cb 0.52 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 1lts h ASP 70 CO 0.03 0.52 0.29 0.74 -1.72 0.00 0.00 179.24 179.10 1lts h THR 71 N 0.69 1.26 -0.10 0.35 2.02 -0.28 -2.79 112.91 114.06 1lts h THR 71 Ca 0.18 -0.84 -0.15 0.00 0.77 0.00 0.00 66.41 66.37 1lts h THR 71 Cb 0.02 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1lts h THR 71 CO -0.03 0.34 -0.60 -0.07 0.37 0.00 0.00 175.52 175.53 1lts h LEU 72 N 1.12 0.40 0.04 2.58 3.38 -0.74 -1.28 115.31 120.80 1lts h LEU 72 Ca 0.25 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1lts h LEU 72 Cb 0.24 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1lts h LEU 72 CO -0.02 0.91 -0.02 -0.09 0.09 0.00 0.00 178.44 179.31 1lts h ARG 73 N 0.26 -0.05 0.00 1.13 2.43 -1.23 -1.57 114.38 115.36 1lts h ARG 73 Ca -0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1lts h ARG 73 Cb 1.12 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 1lts h ARG 73 CO 0.10 0.16 -0.45 0.97 -1.51 0.00 0.00 179.97 179.23 1lts h ILE 74 N -0.25 1.10 -0.28 1.20 6.09 -1.48 -0.59 117.51 123.31 1lts h ILE 74 Ca -0.01 -1.68 -0.01 0.00 -1.37 0.00 0.00 64.86 61.79 1lts h ILE 74 Cb 0.23 1.97 -0.01 0.00 0.47 0.00 0.00 36.82 39.47 1lts h ILE 74 CO 0.01 0.44 0.14 0.74 -3.07 0.00 0.00 178.15 176.42 1lts h THR 75 N 0.00 1.14 0.08 2.19 2.02 -1.20 -0.37 112.91 116.76 1lts h THR 75 Ca -0.00 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 1lts h THR 75 Cb 0.93 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1lts h THR 75 CO 0.06 0.14 -0.04 0.22 0.37 0.00 0.00 175.52 176.27 1lts h TYR 76 N 0.33 -0.10 -0.17 3.16 3.20 -1.04 -1.76 116.97 120.59 1lts h TYR 76 Ca 0.10 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 1lts h TYR 76 Cb 0.09 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1lts h TYR 76 CO -0.03 0.02 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.22 1lts h LEU 77 N -0.19 0.29 -0.68 2.82 3.38 -1.02 -1.64 115.31 118.27 1lts h LEU 77 Ca -0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1lts h LEU 77 Cb 0.16 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1lts h LEU 77 CO 0.02 0.53 0.00 0.35 0.09 0.00 0.00 178.44 179.43 1lts n THR 78 N -4.17 0.01 -3.05 0.22 -2.24 -0.16 -4.91 114.28 99.98 1lts n THR 78 Ca -0.01 -0.18 -0.22 0.00 -2.27 0.00 0.00 64.05 61.38 1lts n THR 78 Cb 0.35 0.20 0.02 0.00 -2.10 0.00 0.00 70.33 68.80 1lts n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1lts n GLU 79 N -0.17 -4.09 -2.54 -0.78 1.02 -0.62 -4.94 120.64 108.51 1lts n GLU 79 Ca 0.20 0.77 -0.41 0.00 -0.02 0.00 0.00 57.16 57.70 1lts n GLU 79 Cb 0.28 -5.56 -0.04 0.00 -0.02 0.00 0.00 31.44 26.11 1lts n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1lts s THR 80 N -3.06 4.05 0.25 2.62 2.01 -0.79 -4.83 115.64 115.88 1lts s THR 80 Ca 0.29 1.69 -0.30 0.00 0.31 0.00 0.00 61.69 63.68 1lts s THR 80 Cb -0.14 -4.08 -0.10 0.00 0.01 0.00 0.00 72.50 68.20 1lts s THR 80 CO 0.36 0.25 1.34 -0.54 -0.69 0.00 0.00 174.62 175.35 1lts s LYS 81 N -0.03 4.35 -0.13 4.92 1.02 -1.26 -4.34 119.74 124.27 1lts s LYS 81 Ca 0.50 2.15 -0.07 0.00 0.02 0.00 0.00 55.97 58.58 1lts s LYS 81 Cb -0.28 -3.14 -0.04 0.00 -0.52 0.00 0.00 37.83 33.85 1lts s LYS 81 CO 0.33 -0.27 0.12 0.42 -0.92 0.00 0.00 175.35 175.02 1lts s ILE 82 N -0.24 5.29 -0.03 2.17 1.01 0.10 -4.42 121.20 125.08 1lts s ILE 82 Ca 0.55 0.13 -0.02 0.00 0.00 0.00 0.00 60.65 61.32 1lts s ILE 82 Cb -0.39 -3.32 -0.01 0.00 0.01 0.00 0.00 42.46 38.76 1lts s ILE 82 CO 0.43 0.58 -0.03 -0.78 0.00 0.00 0.00 174.94 175.14 1lts h ASP 83 N 5.38 0.00 -3.86 3.58 3.58 -1.23 -0.76 116.42 123.12 1lts h ASP 83 Ca -0.51 0.00 -0.43 0.00 0.42 0.00 0.00 57.03 56.51 1lts h ASP 83 Cb 1.21 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 42.08 1lts h ASP 83 CO 0.61 0.15 -0.76 -0.54 -2.88 0.00 0.00 179.24 175.82 1lts s LYS 84 N -1.23 1.11 -0.07 0.28 1.02 -1.22 0.12 119.74 119.74 1lts s LYS 84 Ca -0.03 -1.32 0.04 0.00 0.02 0.00 0.00 55.97 54.68 1lts s LYS 84 Cb 0.00 -0.99 0.00 0.00 -0.52 0.00 0.00 37.83 36.33 1lts s LYS 84 CO 0.04 0.19 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.94 1lts s LEU 85 N -2.64 1.96 -0.25 3.17 1.43 -0.24 -0.99 118.68 121.12 1lts s LEU 85 Ca 0.12 -0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 52.63 1lts s LEU 85 Cb -0.04 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 1lts s LEU 85 CO 0.04 0.15 0.32 0.00 0.23 0.00 0.00 176.35 177.09 1lts s VAL 87 N 1.72 1.42 -0.56 0.00 -7.23 -0.42 0.07 120.40 115.40 1lts s VAL 87 Ca 0.14 -1.78 -0.26 0.00 -1.81 0.00 0.00 61.98 58.27 1lts s VAL 87 Cb -0.15 -1.61 0.04 0.00 0.56 0.00 0.00 36.38 35.21 1lts s VAL 87 CO 0.09 -0.41 1.05 0.26 -0.31 0.00 0.00 175.10 175.77 1lts s TRP 88 N -2.18 2.72 -2.00 2.82 0.51 0.91 -1.27 118.94 120.44 1lts s TRP 88 Ca 0.11 0.19 0.25 0.00 -2.12 0.00 0.00 56.10 54.53 1lts s TRP 88 Cb -0.05 -4.25 1.51 0.00 -0.81 0.00 0.00 33.47 29.87 1lts s TRP 88 CO 0.04 -1.44 1.92 0.27 -0.51 0.00 0.00 176.95 177.23 1lts n ASN 89 N 7.85 0.00 -0.56 2.95 0.23 -0.52 -2.01 115.26 123.20 1lts n ASN 89 Ca 0.05 -1.02 0.05 0.00 -0.53 0.00 0.00 54.58 53.13 1lts n ASN 89 Cb 0.48 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 38.33 1lts n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1lts n ASN 90 N -0.94 1.64 -4.38 0.53 0.23 -1.26 -4.89 115.26 106.19 1lts n ASN 90 Ca 0.19 -1.99 -0.19 0.00 -0.53 0.00 0.00 54.58 52.06 1lts n ASN 90 Cb 0.09 -0.20 -0.10 0.00 -2.08 0.00 0.00 39.78 37.48 1lts n ASN 90 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1lts s LYS 91 N -1.60 1.46 -0.13 -3.83 -0.14 -1.23 -5.07 119.74 109.20 1lts s LYS 91 Ca 0.21 -1.76 -0.00 0.00 -1.36 0.00 0.00 55.97 53.06 1lts s LYS 91 Cb 0.11 -0.78 0.02 0.00 -1.68 0.00 0.00 37.83 35.50 1lts s LYS 91 CO 0.14 -0.10 -0.11 0.99 -0.76 0.00 0.00 175.35 175.52 1lts s THR 92 N -3.31 1.30 0.85 2.17 2.01 -1.26 -2.32 115.64 115.08 1lts s THR 92 Ca 0.31 -0.46 -0.11 0.00 0.31 0.00 0.00 61.69 61.73 1lts s THR 92 Cb 0.06 -1.26 0.10 0.00 0.01 0.00 0.00 72.50 71.41 1lts s THR 92 CO 0.11 0.41 1.09 -2.16 -0.69 0.00 0.00 174.62 173.39 1lts s PRO 93 N 1.59 1.62 0.33 4.92 0.04 -1.26 -5.06 135.00 137.17 1lts s PRO 93 Ca 0.05 0.94 -0.28 0.00 0.04 0.00 0.00 61.00 61.75 1lts s PRO 93 Cb -0.13 -1.84 -0.13 0.00 0.04 0.00 0.00 34.50 32.44 1lts s PRO 93 CO -0.09 -2.02 1.13 0.09 0.04 0.00 0.00 177.00 176.14 1lts n ASN 94 N -3.75 1.91 -4.85 6.66 3.02 -0.98 -4.54 115.26 112.73 1lts n ASN 94 Ca 0.08 1.18 -0.38 0.00 -0.03 0.00 0.00 54.58 55.43 1lts n ASN 94 Cb 0.54 -1.38 -0.06 0.00 -0.61 0.00 0.00 39.78 38.28 1lts n ASN 94 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1lts s SER 95 N -0.47 6.63 0.04 6.41 0.01 -0.85 -1.85 113.70 123.61 1lts s SER 95 Ca 0.58 0.76 -0.30 0.00 1.31 0.00 0.00 55.95 58.29 1lts s SER 95 Cb -0.63 -2.18 -0.05 0.00 0.21 0.00 0.00 66.02 63.37 1lts s SER 95 CO 0.61 0.35 1.17 -0.63 0.41 0.00 0.00 173.24 175.15 1lts s ILE 96 N -1.02 4.18 -0.20 1.44 1.01 -0.17 -0.06 121.20 126.38 1lts s ILE 96 Ca 0.20 1.56 0.09 0.00 0.00 0.00 0.00 60.65 62.50 1lts s ILE 96 Cb -0.15 -4.00 -0.18 0.00 0.01 0.00 0.00 42.46 38.14 1lts s ILE 96 CO 0.09 0.11 -0.07 0.00 0.00 0.00 0.00 174.94 175.08 1lts n ALA 97 N 4.04 1.54 -3.32 9.38 0.00 0.11 -4.84 120.51 127.42 1lts n ALA 97 Ca 0.09 -1.07 -0.13 0.00 0.00 0.00 0.00 53.44 52.33 1lts n ALA 97 Cb 0.47 -0.08 -0.04 0.00 0.00 0.00 0.00 19.45 19.81 1lts n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lts s ALA 98 N -2.44 -1.42 -0.00 0.00 0.00 -0.83 -4.98 121.76 112.09 1lts s ALA 98 Ca -0.19 0.47 0.03 0.00 0.00 0.00 0.00 51.96 52.26 1lts s ALA 98 Cb 0.07 0.67 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 1lts s ALA 98 CO 0.63 -0.66 -0.09 -1.50 0.00 0.00 0.00 175.76 174.14 1lts s ILE 99 N -3.29 0.71 0.13 0.00 2.07 -1.26 -1.21 121.20 118.35 1lts s ILE 99 Ca -0.01 -0.43 0.08 0.00 -1.41 0.00 0.00 60.65 58.88 1lts s ILE 99 Cb -0.00 -0.61 -0.04 0.00 0.13 0.00 0.00 42.46 41.94 1lts s ILE 99 CO -0.09 0.17 -0.18 -0.94 -1.91 0.00 0.00 174.94 171.99 1lts s SER 100 N -0.29 2.50 -0.01 4.50 1.04 -0.16 -5.00 113.70 116.27 1lts s SER 100 Ca 0.03 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1lts s SER 100 Cb -0.04 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1lts s SER 100 CO -0.00 -0.02 -0.01 -0.04 0.98 0.00 0.00 173.24 174.15 1lts s MET 101 N -2.43 0.15 -0.06 4.02 1.00 -1.26 -0.73 119.30 119.99 1lts s MET 101 Ca 0.11 -0.03 0.02 0.00 0.00 0.00 0.00 55.69 55.79 1lts s MET 101 Cb -0.07 -0.18 0.01 0.00 0.00 0.00 0.00 34.83 34.59 1lts s MET 101 CO 0.05 0.00 -0.11 0.21 0.00 0.00 0.00 175.02 175.17 1lts s LYS 102 N 0.15 1.51 0.00 2.03 2.20 -1.26 -4.91 119.74 119.46 1lts s LYS 102 Ca -0.01 -0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.23 1lts s LYS 102 Cb -0.03 -1.28 0.00 0.00 -1.51 0.00 0.00 37.83 35.01 1lts s LYS 102 CO -0.00 0.03 0.00 0.09 -0.36 0.00 0.00 175.35 175.11