#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 0.65 -0.01 0.00 -0.04 -1.26 -4.98 135.00 129.36 1lts n PRO 2 Ca 0.00 0.27 0.02 0.00 -0.04 0.00 0.00 63.50 63.75 1lts n PRO 2 Cb 0.00 -2.24 0.02 0.00 -0.04 0.00 0.00 33.50 31.24 1lts n PRO 2 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1lts n GLN 3 N -1.70 0.10 -3.87 0.54 6.02 -1.26 -4.98 117.38 112.23 1lts n GLN 3 Ca 0.14 -0.88 -0.10 0.00 -0.01 0.00 0.00 57.00 56.14 1lts n GLN 3 Cb 0.49 -1.07 -0.09 0.00 1.02 0.00 0.00 30.24 30.59 1lts n GLN 3 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1lts s THR 4 N -0.41 0.11 0.23 5.09 2.01 -1.26 -5.06 115.64 116.34 1lts s THR 4 Ca 0.05 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.16 1lts s THR 4 Cb 0.03 -0.77 -0.00 0.00 0.01 0.00 0.00 72.50 71.77 1lts s THR 4 CO 0.04 -0.49 1.60 -0.29 -0.69 0.00 0.00 174.62 174.80 1lts h ILE 5 N 3.75 1.31 -0.23 1.82 2.10 -1.97 0.10 117.51 124.39 1lts h ILE 5 Ca -0.32 -1.62 -0.14 0.00 1.08 0.00 0.00 64.86 63.86 1lts h ILE 5 Cb 1.19 1.64 -0.01 0.00 -1.09 0.00 0.00 36.82 38.55 1lts h ILE 5 CO 0.47 0.50 -0.42 0.71 -1.08 0.00 0.00 178.15 178.33 1lts h THR 6 N 0.38 1.30 0.01 2.19 1.35 -1.99 -0.53 112.91 115.62 1lts h THR 6 Ca 0.03 -1.60 -0.19 0.00 -0.55 0.00 0.00 66.41 64.10 1lts h THR 6 Cb 0.93 1.58 -0.02 0.00 -1.73 0.00 0.00 68.15 68.91 1lts h THR 6 CO 0.08 0.50 -0.88 1.05 -0.25 0.00 0.00 175.52 176.02 1lts h GLU 7 N 0.46 0.10 -0.59 4.72 4.11 -1.97 -1.21 114.58 120.20 1lts h GLU 7 Ca 0.04 -0.12 -0.06 0.00 0.07 0.00 0.00 59.36 59.29 1lts h GLU 7 Cb 0.93 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 1lts h GLU 7 CO 0.08 0.91 0.15 1.25 0.07 0.00 0.00 179.01 181.47 1lts h LEU 8 N 0.05 0.90 -0.54 3.06 6.46 -0.55 -3.23 115.31 121.46 1lts h LEU 8 Ca -0.03 -0.23 -0.06 0.00 -0.12 0.00 0.00 57.88 57.43 1lts h LEU 8 Cb 1.53 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 41.20 1lts h LEU 8 CO 0.13 0.90 0.09 0.00 -0.62 0.00 0.00 178.44 178.94 1lts h SER 10 N 0.79 0.00 -0.18 0.00 0.87 -1.23 -1.95 113.55 111.84 1lts h SER 10 Ca 0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1lts h SER 10 Cb 0.40 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1lts h SER 10 CO 0.01 0.00 0.00 1.21 -0.53 0.00 0.00 176.83 177.52 1lts n GLU 11 N -2.81 2.24 -4.42 2.24 2.13 -1.14 -4.91 120.64 113.98 1lts n GLU 11 Ca 0.00 -1.84 -0.24 0.00 0.66 0.00 0.00 57.16 55.74 1lts n GLU 11 Cb 0.66 -1.47 -0.09 0.00 0.27 0.00 0.00 31.44 30.80 1lts n GLU 11 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1lts s TYR 12 N -1.78 2.44 0.18 4.31 1.51 -0.73 -5.12 117.35 118.16 1lts s TYR 12 Ca 0.34 -0.34 -0.13 0.00 -1.01 0.00 0.00 57.07 55.93 1lts s TYR 12 Cb 0.21 -1.15 -0.07 0.00 -0.11 0.00 0.00 41.96 40.84 1lts s TYR 12 CO 0.31 0.65 0.57 0.50 -1.11 0.00 0.00 175.55 176.46 1lts s ARG 13 N -3.59 3.93 -0.97 -0.62 3.52 -1.26 -4.36 118.95 115.61 1lts s ARG 13 Ca 0.31 0.44 -0.05 0.00 -0.13 0.00 0.00 55.73 56.30 1lts s ARG 13 Cb -0.04 -2.81 0.01 0.00 -1.56 0.00 0.00 34.95 30.55 1lts s ARG 13 CO 0.17 0.41 0.84 0.09 -0.81 0.00 0.00 175.30 176.00 1lts n ASN 14 N 0.44 -4.65 -4.57 -2.12 4.13 -1.26 -4.95 115.26 102.28 1lts n ASN 14 Ca -0.03 -0.40 -0.24 0.00 1.68 0.00 0.00 54.58 55.59 1lts n ASN 14 Cb 0.52 -3.81 -0.09 0.00 -1.54 0.00 0.00 39.78 34.87 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 -3.24 2.96 -0.13 3.41 -4.23 -1.26 -0.60 115.64 112.56 1lts s THR 15 Ca 0.35 -2.14 -0.09 0.00 -1.18 0.00 0.00 61.69 58.64 1lts s THR 15 Cb -0.16 -2.60 0.04 0.00 1.34 0.00 0.00 72.50 71.12 1lts s THR 15 CO 0.53 -0.37 0.32 -1.58 -0.54 0.00 0.00 174.62 172.98 1lts s GLN 16 N -3.61 0.33 0.06 3.99 0.74 0.06 -4.82 119.66 116.41 1lts s GLN 16 Ca 0.31 0.54 -0.24 0.00 0.05 0.00 0.00 55.36 56.02 1lts s GLN 16 Cb -0.05 0.05 -0.06 0.00 1.10 0.00 0.00 33.01 34.05 1lts s GLN 16 CO 0.18 -0.10 0.74 0.42 -0.55 0.00 0.00 175.29 175.97 1lts s ILE 17 N 0.73 4.71 -0.15 -2.34 -1.09 -1.26 -0.82 121.20 120.98 1lts s ILE 17 Ca -0.05 1.57 0.02 0.00 -2.23 0.00 0.00 60.65 59.96 1lts s ILE 17 Cb -0.06 -4.08 0.01 0.00 -1.58 0.00 0.00 42.46 36.75 1lts s ILE 17 CO -0.05 0.40 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.55 1lts s TYR 18 N -0.26 2.71 -0.27 3.97 1.51 0.75 -4.98 117.35 120.78 1lts s TYR 18 Ca 0.37 -1.31 -0.18 0.00 -1.01 0.00 0.00 57.07 54.94 1lts s TYR 18 Cb -0.20 -1.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.77 1lts s TYR 18 CO 0.22 -0.61 0.50 0.99 -1.11 0.00 0.00 175.55 175.55 1lts s THR 19 N 0.88 5.07 -0.21 -0.71 2.01 -1.26 -0.86 115.64 120.56 1lts s THR 19 Ca -0.05 0.83 -0.15 0.00 0.31 0.00 0.00 61.69 62.63 1lts s THR 19 Cb -0.15 -3.82 -0.08 0.00 0.01 0.00 0.00 72.50 68.45 1lts s THR 19 CO -0.03 0.08 -0.33 -0.38 -0.69 0.00 0.00 174.62 173.27 1lts n ILE 20 N 5.17 1.45 -4.07 1.82 2.08 0.14 -5.00 119.36 120.94 1lts n ILE 20 Ca -0.04 -0.09 -0.27 0.00 0.56 0.00 0.00 62.75 62.90 1lts n ILE 20 Cb 0.50 -2.08 -0.05 0.00 -0.75 0.00 0.00 39.64 37.27 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 -4.27 0.02 -3.50 4.38 5.15 0.37 -4.95 115.26 112.46 1lts n ASN 21 Ca -0.31 -1.09 -0.14 0.00 -0.60 0.00 0.00 54.58 52.44 1lts n ASN 21 Cb 0.66 -2.60 -0.04 0.00 -0.53 0.00 0.00 39.78 37.27 1lts n ASN 21 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1lts s ASP 22 N -4.35 -0.53 0.66 1.20 2.15 -1.04 -4.91 116.67 109.84 1lts s ASP 22 Ca 0.02 0.18 -0.11 0.00 0.43 0.00 0.00 52.55 53.07 1lts s ASP 22 Cb -0.01 0.55 -0.01 0.00 -0.30 0.00 0.00 42.92 43.15 1lts s ASP 22 CO 0.92 -0.82 1.05 -1.59 -0.17 0.00 0.00 175.17 174.56 1lts s LYS 23 N -2.86 3.12 0.20 4.34 -2.85 -1.26 -0.60 119.74 119.83 1lts s LYS 23 Ca -0.03 0.51 -0.30 0.00 -1.00 0.00 0.00 55.97 55.15 1lts s LYS 23 Cb -0.00 -2.07 -0.08 0.00 -2.06 0.00 0.00 37.83 33.61 1lts s LYS 23 CO -0.05 -0.83 1.15 0.42 0.10 0.00 0.00 175.35 176.14 1lts s ILE 24 N -3.25 3.62 -0.16 3.79 1.01 -1.26 -4.72 121.20 120.23 1lts s ILE 24 Ca 0.56 1.43 -0.24 0.00 0.00 0.00 0.00 60.65 62.40 1lts s ILE 24 Cb -0.11 -3.91 -0.21 0.00 0.01 0.00 0.00 42.46 38.24 1lts s ILE 24 CO 0.52 0.26 0.51 0.25 0.00 0.00 0.00 174.94 176.48 1lts h LEU 25 N 4.88 0.00 -8.33 2.97 5.85 -1.29 -3.48 115.31 115.91 1lts h LEU 25 Ca -0.45 -0.75 -0.21 0.00 0.84 0.00 0.00 57.88 57.31 1lts h LEU 25 Cb 1.21 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 42.08 1lts h LEU 25 CO 0.72 1.11 -0.70 -0.94 -0.34 0.00 0.00 178.44 178.29 1lts s SER 26 N -6.35 0.92 -0.06 1.25 1.04 -1.17 -4.98 113.70 104.35 1lts s SER 26 Ca -0.21 -0.89 0.02 0.00 0.48 0.00 0.00 55.95 55.35 1lts s SER 26 Cb 0.00 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.24 1lts s SER 26 CO 0.60 -0.43 -0.09 -0.47 0.98 0.00 0.00 173.24 173.83 1lts s TYR 27 N -3.12 1.15 -0.04 5.02 6.14 -1.26 -1.94 117.35 123.30 1lts s TYR 27 Ca 0.05 -0.40 0.05 0.00 0.64 0.00 0.00 57.07 57.42 1lts s TYR 27 Cb 0.02 -0.89 -0.01 0.00 0.42 0.00 0.00 41.96 41.50 1lts s TYR 27 CO -0.04 -0.24 -0.19 0.99 0.64 0.00 0.00 175.55 176.71 1lts s THR 28 N 0.78 1.52 -0.05 4.34 2.01 -0.16 -5.00 115.64 119.07 1lts s THR 28 Ca -0.13 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.10 1lts s THR 28 Cb -0.15 -1.29 0.02 0.00 0.01 0.00 0.00 72.50 71.08 1lts s THR 28 CO 0.02 0.43 -0.08 -0.70 -0.69 0.00 0.00 174.62 173.61 1lts s GLU 29 N -0.10 1.21 -0.05 4.92 2.12 -1.26 -0.89 118.70 124.65 1lts s GLU 29 Ca -0.01 -0.24 0.05 0.00 0.36 0.00 0.00 54.97 55.13 1lts s GLU 29 Cb -0.11 -1.08 -0.01 0.00 0.26 0.00 0.00 34.13 33.19 1lts s GLU 29 CO 0.02 -0.03 -0.19 0.45 -0.54 0.00 0.00 175.26 174.96 1lts s SER 30 N 0.80 2.41 -0.07 -1.70 0.15 -0.85 -4.99 113.70 109.45 1lts s SER 30 Ca -0.13 -0.40 0.11 0.00 0.70 0.00 0.00 55.95 56.24 1lts s SER 30 Cb -0.15 -0.65 0.27 0.00 -1.71 0.00 0.00 66.02 63.79 1lts s SER 30 CO 0.02 0.18 1.21 1.15 1.20 0.00 0.00 173.24 176.99 1lts n MET 31 N 3.07 2.59 -2.12 5.44 0.00 -1.26 -2.95 117.12 121.89 1lts n MET 31 Ca -0.18 -2.20 -0.41 0.00 0.00 0.00 0.00 57.70 54.91 1lts n MET 31 Cb 0.53 -1.38 -0.02 0.00 0.00 0.00 0.00 33.22 32.34 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 -1.82 3.51 -0.03 3.17 0.00 -1.26 -4.82 121.76 120.52 1lts s ALA 32 Ca 0.23 1.25 -0.36 0.00 0.00 0.00 0.00 51.96 53.08 1lts s ALA 32 Cb 0.17 -3.48 -0.14 0.00 0.00 0.00 0.00 23.12 19.67 1lts s ALA 32 CO 0.07 -0.63 1.67 0.41 0.00 0.00 0.00 175.76 177.28 1lts n GLY 33 N 1.11 1.07 3.29 0.00 0.00 -1.26 -0.63 105.19 108.77 1lts n GLY 33 Ca 0.01 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 4.75 -0.04 -2.17 1.61 5.02 -1.26 -4.83 118.16 121.23 1lts n LYS 34 Ca 0.21 0.01 -0.14 0.00 -2.02 0.00 0.00 58.31 56.37 1lts n LYS 34 Cb 0.24 -3.22 0.04 0.00 -0.02 0.00 0.00 35.03 32.07 1lts n LYS 34 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1lts n ARG 35 N -1.98 2.83 -2.70 1.97 5.12 0.20 -4.93 116.66 117.17 1lts n ARG 35 Ca 0.00 -3.86 -0.42 0.00 -1.93 0.00 0.00 57.85 51.64 1lts n ARG 35 Cb 0.01 -1.98 -0.03 0.00 -1.16 0.00 0.00 32.46 29.30 1lts n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1lts s GLU 36 N -3.54 3.40 0.26 5.56 8.01 -1.13 -4.21 118.70 127.05 1lts s GLU 36 Ca 0.43 -0.99 -0.14 0.00 0.01 0.00 0.00 54.97 54.27 1lts s GLU 36 Cb 0.38 -4.76 0.00 0.00 -4.31 0.00 0.00 34.13 25.44 1lts s GLU 36 CO 0.00 -2.02 0.53 0.00 0.01 0.00 0.00 175.26 173.78 1lts s MET 37 N 4.48 1.62 -0.01 1.61 0.23 -1.15 -4.19 119.30 121.88 1lts s MET 37 Ca 0.36 -1.24 0.07 0.00 -1.03 0.00 0.00 55.69 53.85 1lts s MET 37 Cb -0.06 0.50 -0.02 0.00 -1.53 0.00 0.00 34.83 33.72 1lts s MET 37 CO 0.00 -0.69 -0.23 0.08 -2.03 0.00 0.00 175.02 172.15 1lts s VAL 38 N -3.91 1.80 -0.07 5.16 1.01 -1.24 -2.00 120.40 121.15 1lts s VAL 38 Ca 0.21 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.23 1lts s VAL 38 Cb -0.02 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1lts s VAL 38 CO 0.09 0.49 -0.19 -0.63 0.00 0.00 0.00 175.10 174.86 1lts s ILE 39 N -0.55 1.65 0.07 2.22 1.01 -0.07 -1.49 121.20 124.04 1lts s ILE 39 Ca 0.09 -0.80 0.09 0.00 0.00 0.00 0.00 60.65 60.03 1lts s ILE 39 Cb -0.09 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 1lts s ILE 39 CO -0.01 0.47 -0.25 0.27 0.00 0.00 0.00 174.94 175.42 1lts s ILE 40 N 0.33 2.03 0.21 2.92 -4.36 -0.14 -0.99 121.20 121.19 1lts s ILE 40 Ca -0.13 -1.47 0.07 0.00 -0.26 0.00 0.00 60.65 58.86 1lts s ILE 40 Cb -0.16 -1.77 -0.05 0.00 1.25 0.00 0.00 42.46 41.74 1lts s ILE 40 CO 0.05 0.21 -0.12 0.42 0.24 0.00 0.00 174.94 175.75 1lts s THR 41 N -0.91 1.59 0.24 8.37 -4.23 -0.82 -1.29 115.64 118.60 1lts s THR 41 Ca 0.11 -2.17 0.11 0.00 -1.18 0.00 0.00 61.69 58.56 1lts s THR 41 Cb -0.10 -2.08 -0.05 0.00 1.34 0.00 0.00 72.50 71.62 1lts s THR 41 CO 0.03 -0.57 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.02 1lts s PHE 42 N -3.06 2.41 0.44 3.99 0.08 -0.05 -0.79 117.98 121.01 1lts s PHE 42 Ca 0.23 -0.30 0.21 0.00 0.12 0.00 0.00 56.93 57.18 1lts s PHE 42 Cb 0.01 -1.10 1.23 0.00 -0.57 0.00 0.00 43.02 42.59 1lts s PHE 42 CO 0.06 0.62 2.04 1.57 -0.10 0.00 0.00 175.22 179.42 1lts h LYS 43 N 2.50 0.00 0.00 0.44 2.10 -1.89 -1.08 116.57 118.64 1lts h LYS 43 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1lts h LYS 43 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1lts h LYS 43 CO 0.57 0.15 0.00 -1.13 -2.00 0.00 0.00 179.45 177.04 1lts n SER 44 N -4.01 0.25 0.00 7.07 3.41 -1.26 -4.85 113.62 114.24 1lts n SER 44 Ca -0.02 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 1lts n SER 44 Cb 0.24 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 1lts n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lts n GLY 45 N -1.28 1.37 3.72 5.00 0.00 -0.41 -5.08 105.19 108.51 1lts n GLY 45 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.66 4.29 -0.08 1.61 2.02 -1.26 -4.81 118.70 119.82 1lts s GLU 46 Ca 0.00 2.19 0.04 0.00 0.02 0.00 0.00 54.97 57.22 1lts s GLU 46 Cb 0.00 -3.19 -0.01 0.00 0.10 0.00 0.00 34.13 31.03 1lts s GLU 46 CO 0.00 -0.45 -0.21 0.99 0.02 0.00 0.00 175.26 175.61 1lts s THR 47 N 0.78 2.42 0.06 3.63 2.01 -1.26 -0.87 115.64 122.40 1lts s THR 47 Ca 0.64 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.74 1lts s THR 47 Cb -0.40 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.16 1lts s THR 47 CO 0.34 0.56 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.39 1lts s PHE 48 N -0.10 0.77 0.20 4.92 0.08 -0.41 -4.08 117.98 119.36 1lts s PHE 48 Ca -0.04 -0.58 0.09 0.00 0.12 0.00 0.00 56.93 56.51 1lts s PHE 48 Cb -0.14 -0.45 -0.04 0.00 -0.57 0.00 0.00 43.02 41.81 1lts s PHE 48 CO 0.04 -0.08 -0.17 1.14 -0.10 0.00 0.00 175.22 176.05 1lts s GLN 49 N -2.05 1.34 -0.30 0.44 -2.07 -0.39 -0.97 119.66 115.67 1lts s GLN 49 Ca -0.05 -1.53 -0.10 0.00 -1.82 0.00 0.00 55.36 51.87 1lts s GLN 49 Cb -0.07 -1.29 -0.02 0.00 -1.09 0.00 0.00 33.01 30.54 1lts s GLN 49 CO -0.00 0.24 0.15 0.08 -1.32 0.00 0.00 175.29 174.43 1lts s VAL 50 N -2.50 4.71 0.72 3.63 1.01 -0.55 -0.82 120.40 126.59 1lts s VAL 50 Ca 0.20 -0.26 -0.16 0.00 0.00 0.00 0.00 61.98 61.77 1lts s VAL 50 Cb -0.03 -3.34 0.03 0.00 0.00 0.00 0.00 36.38 33.04 1lts s VAL 50 CO 0.08 0.15 1.25 -1.61 0.00 0.00 0.00 175.10 174.96 1lts s GLU 51 N 1.65 2.14 0.19 2.72 2.02 -1.26 -3.58 118.70 122.56 1lts s GLU 51 Ca 0.05 1.91 -0.31 0.00 0.02 0.00 0.00 54.97 56.64 1lts s GLU 51 Cb -0.16 -1.82 -0.10 0.00 0.10 0.00 0.00 34.13 32.15 1lts s GLU 51 CO 0.07 -1.87 1.58 0.08 0.02 0.00 0.00 175.26 175.13 1lts s VAL 52 N -1.76 2.51 -0.51 2.63 1.01 -1.26 -4.82 120.40 118.20 1lts s VAL 52 Ca 0.78 0.37 -0.26 0.00 0.00 0.00 0.00 61.98 62.87 1lts s VAL 52 Cb -0.33 -3.24 -0.08 0.00 0.00 0.00 0.00 36.38 32.73 1lts s VAL 52 CO 0.45 0.03 2.43 -0.81 0.00 0.00 0.00 175.10 177.20 1lts n PRO 53 N 3.71 1.02 -2.71 2.72 -0.04 -1.26 -4.88 135.00 133.55 1lts n PRO 53 Ca 0.13 0.01 -0.23 0.00 -0.04 0.00 0.00 63.50 63.38 1lts n PRO 53 Cb 0.38 -3.35 0.10 0.00 -0.04 0.00 0.00 33.50 30.60 1lts n PRO 53 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1lts s GLY 54 N 11.97 1.74 0.37 0.55 0.00 -1.26 -5.03 107.32 115.67 1lts s GLY 54 Ca 1.00 -1.90 0.05 0.00 0.00 0.00 0.00 44.72 43.87 1lts s GLY 54 CO 0.28 -1.33 2.01 1.76 0.00 0.00 0.00 173.10 175.81 1lts h SER 55 N -0.38 0.62 0.00 1.64 0.02 -2.04 -2.60 113.55 110.81 1lts h SER 55 Ca -0.34 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1lts h SER 55 Cb 1.27 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1lts h SER 55 CO 0.39 0.43 0.00 1.67 -1.14 0.00 0.00 176.83 178.18 1lts n GLN 56 N -4.46 0.66 -4.20 3.45 -0.06 -1.26 -4.73 117.38 106.79 1lts n GLN 56 Ca 0.07 0.00 -0.35 0.00 -2.00 0.00 0.00 57.00 54.72 1lts n GLN 56 Cb 0.12 -1.13 -0.10 0.00 -4.06 0.00 0.00 30.24 25.07 1lts n GLN 56 CO 0.00 0.00 0.00 -1.01 -0.20 0.00 0.00 177.06 175.85 1lts s HIS 57 N -1.61 3.20 0.78 3.69 3.76 -0.98 -5.09 115.29 119.04 1lts s HIS 57 Ca 0.00 0.07 -0.12 0.00 -0.15 0.00 0.00 55.06 54.86 1lts s HIS 57 Cb 0.00 -1.95 0.06 0.00 1.11 0.00 0.00 32.58 31.80 1lts s HIS 57 CO 0.00 0.26 1.11 0.96 -0.85 0.00 0.00 174.74 176.23 1lts s ILE 58 N -0.15 2.91 -0.37 0.60 -4.36 -1.26 -4.90 121.20 113.67 1lts s ILE 58 Ca 0.06 0.30 0.26 0.00 -0.26 0.00 0.00 60.65 61.00 1lts s ILE 58 Cb -0.12 -3.16 0.34 0.00 1.25 0.00 0.00 42.46 40.76 1lts s ILE 58 CO 0.02 -0.39 1.73 0.44 0.24 0.00 0.00 174.94 176.99 1lts h ASP 59 N -1.00 0.00 -0.65 4.36 5.19 -2.00 -1.65 116.42 120.68 1lts h ASP 59 Ca -0.47 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 55.89 1lts h ASP 59 Cb 1.28 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.76 1lts h ASP 59 CO 0.62 0.00 0.21 -1.28 -3.12 0.00 0.00 179.24 175.67 1lts h SER 60 N 0.00 0.95 0.08 6.45 0.87 -2.00 -2.54 113.55 117.36 1lts h SER 60 Ca 0.00 -0.21 -0.09 0.00 -1.23 0.00 0.00 61.79 60.26 1lts h SER 60 Cb 0.79 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 1lts h SER 60 CO 0.00 0.91 -0.28 1.56 -0.53 0.00 0.00 176.83 178.48 1lts h GLN 61 N 0.95 0.32 0.07 2.24 4.20 -1.70 -2.16 115.11 119.03 1lts h GLN 61 Ca 0.21 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.81 1lts h GLN 61 Cb 0.29 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1lts h GLN 61 CO -0.01 0.58 -0.09 0.87 -0.67 0.00 0.00 178.83 179.52 1lts h LYS 62 N 0.29 -0.18 -0.75 1.46 6.56 -0.98 -1.06 116.57 121.92 1lts h LYS 62 Ca 0.04 0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.61 1lts h LYS 62 Cb 0.65 0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.32 1lts h LYS 62 CO 0.05 -0.12 0.33 0.87 -2.06 0.00 0.00 179.45 178.51 1lts h LYS 63 N -0.19 1.08 0.00 3.15 1.57 -1.52 -2.83 116.57 117.84 1lts h LYS 63 Ca 0.01 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 1lts h LYS 63 Cb 0.19 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1lts h LYS 63 CO -0.04 0.86 -0.40 0.00 -0.57 0.00 0.00 179.45 179.30 1lts h ALA 64 N 1.29 1.33 -0.51 3.86 0.00 -0.99 -1.89 119.26 122.35 1lts h ALA 64 Ca 0.25 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1lts h ALA 64 Cb 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1lts h ALA 64 CO -0.03 0.50 -0.17 0.82 0.00 0.00 0.00 179.25 180.38 1lts h ILE 65 N 0.00 1.27 -0.47 0.00 2.04 -1.07 -1.38 117.51 117.90 1lts h ILE 65 Ca -0.00 -1.33 -0.07 0.00 1.00 0.00 0.00 64.86 64.45 1lts h ILE 65 Cb 0.71 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1lts h ILE 65 CO 0.05 0.46 0.00 -0.33 0.00 0.00 0.00 178.15 178.34 1lts h GLU 66 N 0.88 0.82 -0.46 2.37 4.39 -1.25 -1.91 114.58 119.43 1lts h GLU 66 Ca 0.12 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1lts h GLU 66 Cb 0.74 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 1lts h GLU 66 CO 0.06 0.87 0.30 -0.09 -1.16 0.00 0.00 179.01 178.99 1lts h ARG 67 N 0.68 0.61 -0.82 2.33 2.43 -1.20 -1.53 114.38 116.87 1lts h ARG 67 Ca 0.13 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1lts h ARG 67 Cb 0.50 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 1lts h ARG 67 CO 0.02 0.41 0.41 1.98 -1.51 0.00 0.00 179.97 181.29 1lts h MET 68 N 0.62 1.17 -0.55 0.20 4.05 -1.03 0.21 114.93 119.60 1lts h MET 68 Ca 0.17 -0.16 -0.03 0.00 -0.28 0.00 0.00 59.70 59.40 1lts h MET 68 Cb -0.06 -0.22 -0.03 0.00 -0.80 0.00 0.00 31.60 30.50 1lts h MET 68 CO -0.04 0.89 0.22 0.87 0.23 0.00 0.00 176.91 179.09 1lts h LYS 69 N 1.16 0.80 -0.45 0.39 1.57 -0.98 -1.29 116.57 117.76 1lts h LYS 69 Ca 0.28 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1lts h LYS 69 Cb 0.09 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1lts h LYS 69 CO -0.04 0.66 0.18 -0.44 -0.57 0.00 0.00 179.45 179.24 1lts h ASP 70 N 0.79 0.61 -0.77 0.86 3.32 -0.09 -2.43 116.42 118.71 1lts h ASP 70 Ca 0.19 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1lts h ASP 70 Cb 0.15 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1lts h ASP 70 CO -0.02 0.60 0.37 0.74 -1.72 0.00 0.00 179.24 179.21 1lts h THR 71 N 0.58 1.25 -0.29 0.35 2.02 -0.55 -2.40 112.91 113.87 1lts h THR 71 Ca 0.15 -0.69 -0.16 0.00 0.77 0.00 0.00 66.41 66.48 1lts h THR 71 Cb 0.18 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1lts h THR 71 CO -0.01 0.29 -0.44 -0.07 0.37 0.00 0.00 175.52 175.66 1lts h LEU 72 N 1.08 0.80 -0.15 2.58 3.38 -1.12 -0.21 115.31 121.67 1lts h LEU 72 Ca 0.26 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1lts h LEU 72 Cb 0.12 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1lts h LEU 72 CO -0.03 1.13 0.07 -0.09 0.09 0.00 0.00 178.44 179.61 1lts h ARG 73 N 0.59 0.22 -0.23 1.13 2.43 -1.32 -1.19 114.38 116.01 1lts h ARG 73 Ca 0.04 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 1lts h ARG 73 Cb 1.00 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1lts h ARG 73 CO 0.10 0.26 -0.29 0.97 -1.51 0.00 0.00 179.97 179.50 1lts h ILE 74 N 0.12 1.27 -0.35 1.20 6.09 -1.33 -1.22 117.51 123.30 1lts h ILE 74 Ca 0.05 -1.33 -0.07 0.00 -1.37 0.00 0.00 64.86 62.14 1lts h ILE 74 Cb 0.12 1.42 -0.01 0.00 0.47 0.00 0.00 36.82 38.81 1lts h ILE 74 CO -0.01 0.42 -0.07 0.74 -3.07 0.00 0.00 178.15 176.16 1lts h THR 75 N 0.40 1.28 -0.09 2.19 2.02 -0.91 -1.05 112.91 116.75 1lts h THR 75 Ca 0.05 -1.12 -0.00 0.00 0.77 0.00 0.00 66.41 66.11 1lts h THR 75 Cb 0.71 1.29 -0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1lts h THR 75 CO 0.05 0.37 0.05 0.22 0.37 0.00 0.00 175.52 176.58 1lts h TYR 76 N 0.45 0.11 -0.26 3.16 3.20 -1.08 -1.08 116.97 121.47 1lts h TYR 76 Ca 0.09 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.85 1lts h TYR 76 Cb 0.57 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1lts h TYR 76 CO 0.05 0.12 -0.29 -0.07 -1.64 0.00 0.00 178.16 176.32 1lts h LEU 77 N 0.08 0.55 -0.94 2.82 3.38 -1.04 -2.73 115.31 117.43 1lts h LEU 77 Ca 0.03 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1lts h LEU 77 Cb 0.04 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1lts h LEU 77 CO -0.01 0.82 0.00 0.35 0.09 0.00 0.00 178.44 179.69 1lts n THR 78 N -4.09 0.00 -2.93 0.22 -2.24 -0.41 -4.92 114.28 99.91 1lts n THR 78 Ca -0.01 -0.24 -0.22 0.00 -2.27 0.00 0.00 64.05 61.31 1lts n THR 78 Cb 0.44 0.47 0.03 0.00 -2.10 0.00 0.00 70.33 69.17 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 0.15 -4.24 -2.37 -0.78 1.02 -0.48 -4.94 120.64 109.01 1lts n GLU 79 Ca 0.19 0.90 -0.42 0.00 -0.02 0.00 0.00 57.16 57.81 1lts n GLU 79 Cb 0.35 -5.72 -0.03 0.00 -0.02 0.00 0.00 31.44 26.02 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 -3.13 3.89 0.26 2.62 2.01 -0.81 -4.82 115.64 115.66 1lts s THR 80 Ca 0.25 1.35 -0.30 0.00 0.31 0.00 0.00 61.69 63.30 1lts s THR 80 Cb -0.11 -3.86 -0.10 0.00 0.01 0.00 0.00 72.50 68.43 1lts s THR 80 CO 0.31 0.10 1.40 -0.54 -0.69 0.00 0.00 174.62 175.20 1lts s LYS 81 N 1.17 4.30 -0.01 4.92 1.02 -1.26 -4.42 119.74 125.46 1lts s LYS 81 Ca 0.60 2.26 -0.19 0.00 0.02 0.00 0.00 55.97 58.66 1lts s LYS 81 Cb -0.31 -3.11 -0.05 0.00 -0.52 0.00 0.00 37.83 33.84 1lts s LYS 81 CO 0.29 -0.36 0.54 0.42 -0.92 0.00 0.00 175.35 175.31 1lts s ILE 82 N -0.19 4.95 0.00 2.17 1.01 0.23 -4.57 121.20 124.80 1lts s ILE 82 Ca 0.57 1.12 0.00 0.00 0.00 0.00 0.00 60.65 62.34 1lts s ILE 82 Cb -0.41 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.19 1lts s ILE 82 CO 0.44 0.45 0.00 -0.67 0.00 0.00 0.00 174.94 175.17 1lts n ASP 83 N 2.56 0.00 -4.35 3.58 2.03 0.16 -0.48 116.55 120.05 1lts n ASP 83 Ca -0.09 0.30 -0.26 0.00 0.52 0.00 0.00 54.79 55.25 1lts n ASP 83 Cb 0.51 -0.36 -0.13 0.00 -0.72 0.00 0.00 41.12 40.43 1lts n ASP 83 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1lts s LYS 84 N -0.72 1.30 -0.01 -0.67 1.02 -1.18 0.24 119.74 119.70 1lts s LYS 84 Ca 0.00 -1.29 0.08 0.00 0.02 0.00 0.00 55.97 54.77 1lts s LYS 84 Cb 0.00 -1.67 -0.02 0.00 -0.52 0.00 0.00 37.83 35.62 1lts s LYS 84 CO 0.00 0.39 -0.25 -0.51 -0.92 0.00 0.00 175.35 174.05 1lts s LEU 85 N -2.08 2.06 -0.18 3.17 1.43 -0.04 -1.67 118.68 121.36 1lts s LEU 85 Ca 0.12 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1lts s LEU 85 Cb -0.10 -1.30 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 1lts s LEU 85 CO 0.06 0.31 0.01 0.00 0.23 0.00 0.00 176.35 176.95 1lts s VAL 87 N 0.62 1.08 -0.23 0.00 -7.23 -0.01 -1.32 120.40 113.31 1lts s VAL 87 Ca 0.00 -1.90 -0.19 0.00 -1.81 0.00 0.00 61.98 58.08 1lts s VAL 87 Cb -0.14 -1.66 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 1lts s VAL 87 CO 0.02 -0.67 0.57 0.26 -0.31 0.00 0.00 175.10 174.96 1lts s TRP 88 N -2.99 3.32 -2.27 2.82 0.51 -0.16 -0.76 118.94 119.41 1lts s TRP 88 Ca 0.12 0.77 0.20 0.00 -2.12 0.00 0.00 56.10 55.08 1lts s TRP 88 Cb 0.01 -2.75 0.55 0.00 -0.81 0.00 0.00 33.47 30.46 1lts s TRP 88 CO 0.00 -0.23 1.45 0.27 -0.51 0.00 0.00 176.95 177.93 1lts n ASN 89 N 5.30 2.61 -1.99 2.95 0.23 0.23 -2.42 115.26 122.17 1lts n ASN 89 Ca -0.03 -1.89 -0.12 0.00 -0.53 0.00 0.00 54.58 52.01 1lts n ASN 89 Cb 0.50 -0.22 0.25 0.00 -2.08 0.00 0.00 39.78 38.23 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 0.93 4.27 -4.23 0.53 6.94 -1.26 -4.92 115.26 117.53 1lts n ASN 90 Ca 0.18 -3.39 -0.19 0.00 -0.02 0.00 0.00 54.58 51.15 1lts n ASN 90 Cb 0.46 -0.77 -0.12 0.00 -2.36 0.00 0.00 39.78 37.00 1lts n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1lts s LYS 91 N -3.12 0.97 -0.12 -3.83 -0.14 -1.25 -5.09 119.74 107.17 1lts s LYS 91 Ca 0.55 -1.14 -0.00 0.00 -1.36 0.00 0.00 55.97 54.02 1lts s LYS 91 Cb 0.45 -0.95 0.02 0.00 -1.68 0.00 0.00 37.83 35.68 1lts s LYS 91 CO 0.12 0.20 -0.10 0.99 -0.76 0.00 0.00 175.35 175.79 1lts s THR 92 N -1.74 1.17 0.90 2.17 2.01 -1.26 -2.70 115.64 116.19 1lts s THR 92 Ca 0.05 -0.39 -0.10 0.00 0.31 0.00 0.00 61.69 61.56 1lts s THR 92 Cb -0.07 -1.15 0.13 0.00 0.01 0.00 0.00 72.50 71.42 1lts s THR 92 CO 0.03 0.39 1.14 -2.16 -0.69 0.00 0.00 174.62 173.33 1lts s PRO 93 N 1.57 1.17 0.53 4.92 0.04 -1.26 -5.07 135.00 136.90 1lts s PRO 93 Ca 0.03 1.48 -0.21 0.00 0.04 0.00 0.00 61.00 62.34 1lts s PRO 93 Cb -0.13 -1.75 -0.07 0.00 0.04 0.00 0.00 34.50 32.59 1lts s PRO 93 CO -0.08 -2.50 1.09 0.09 0.04 0.00 0.00 177.00 175.64 1lts n ASN 94 N -4.14 1.49 -4.69 6.66 5.03 -1.10 -4.57 115.26 113.95 1lts n ASN 94 Ca 0.11 0.93 -0.35 0.00 0.87 0.00 0.00 54.58 56.14 1lts n ASN 94 Cb 0.52 -1.43 -0.09 0.00 -1.02 0.00 0.00 39.78 37.76 1lts n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1lts s SER 95 N -0.98 5.65 0.11 6.41 0.15 -1.02 -1.26 113.70 122.76 1lts s SER 95 Ca 0.70 0.17 -0.30 0.00 0.70 0.00 0.00 55.95 57.22 1lts s SER 95 Cb -0.46 -1.85 -0.06 0.00 -1.71 0.00 0.00 66.02 61.95 1lts s SER 95 CO 0.51 0.28 1.10 -0.63 1.20 0.00 0.00 173.24 175.69 1lts s ILE 96 N -0.25 4.14 -0.12 6.45 1.01 -0.00 -0.99 121.20 131.44 1lts s ILE 96 Ca 0.08 1.69 0.08 0.00 0.00 0.00 0.00 60.65 62.49 1lts s ILE 96 Cb -0.12 -4.08 -0.13 0.00 0.01 0.00 0.00 42.46 38.14 1lts s ILE 96 CO 0.02 0.21 -0.00 0.00 0.00 0.00 0.00 174.94 175.17 1lts n ALA 97 N 3.12 1.71 -3.46 9.38 0.00 -0.44 -4.85 120.51 125.97 1lts n ALA 97 Ca 0.05 -0.73 -0.11 0.00 0.00 0.00 0.00 53.44 52.65 1lts n ALA 97 Cb 0.47 0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.28 -1.70 0.03 0.00 0.00 -0.98 -4.99 121.76 111.84 1lts s ALA 98 Ca -0.09 0.75 0.01 0.00 0.00 0.00 0.00 51.96 52.62 1lts s ALA 98 Cb 0.04 0.64 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 1lts s ALA 98 CO 0.44 -0.71 -0.05 -1.50 0.00 0.00 0.00 175.76 173.94 1lts s ILE 99 N -3.35 0.33 0.06 0.00 2.07 -1.26 -1.81 121.20 117.23 1lts s ILE 99 Ca 0.02 -0.93 0.04 0.00 -1.41 0.00 0.00 60.65 58.37 1lts s ILE 99 Cb -0.01 -0.42 -0.03 0.00 0.13 0.00 0.00 42.46 42.13 1lts s ILE 99 CO -0.10 -0.40 -0.11 -0.94 -1.91 0.00 0.00 174.94 171.48 1lts s SER 100 N -1.40 1.32 -0.00 4.50 1.04 -0.67 -5.01 113.70 113.47 1lts s SER 100 Ca -0.12 -0.58 0.02 0.00 0.48 0.00 0.00 55.95 55.76 1lts s SER 100 Cb -0.09 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.01 1lts s SER 100 CO -0.00 -0.12 -0.06 -0.04 0.98 0.00 0.00 173.24 174.00 1lts s MET 101 N -1.63 0.46 0.01 4.02 -1.94 -1.26 -0.67 119.30 118.30 1lts s MET 101 Ca -0.05 -0.25 0.02 0.00 -1.71 0.00 0.00 55.69 53.70 1lts s MET 101 Cb -0.10 -0.43 -0.01 0.00 2.01 0.00 0.00 34.83 36.30 1lts s MET 101 CO 0.01 0.12 -0.06 0.21 -0.01 0.00 0.00 175.02 175.29 1lts s LYS 102 N -0.25 0.44 0.00 2.03 2.20 -1.26 -4.92 119.74 117.98 1lts s LYS 102 Ca 0.01 -0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 1lts s LYS 102 Cb -0.03 -0.35 0.00 0.00 -1.51 0.00 0.00 37.83 35.94 1lts s LYS 102 CO -0.00 0.09 0.00 0.09 -0.36 0.00 0.00 175.35 175.17