#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1htl s PRO 2 N 0.00 3.07 -0.21 0.00 0.04 -1.26 -4.91 135.00 131.72 1htl s PRO 2 Ca 0.00 2.17 0.15 0.00 0.04 0.00 0.00 61.00 63.36 1htl s PRO 2 Cb 0.00 -2.18 0.57 0.00 0.04 0.00 0.00 34.50 32.93 1htl s PRO 2 CO 0.00 -1.23 1.50 1.04 0.04 0.00 0.00 177.00 178.35 1htl n GLN 3 N -1.17 3.01 -3.52 4.56 6.02 -1.26 -4.91 117.38 120.11 1htl n GLN 3 Ca 0.11 -2.94 -0.15 0.00 -0.01 0.00 0.00 57.00 54.01 1htl n GLN 3 Cb 0.46 -1.92 -0.05 0.00 1.02 0.00 0.00 30.24 29.75 1htl n GLN 3 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1htl s THR 4 N -2.90 0.00 0.20 5.09 2.01 -1.26 -5.03 115.64 113.74 1htl s THR 4 Ca 0.45 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.34 1htl s THR 4 Cb 0.37 -1.00 0.13 0.00 0.01 0.00 0.00 72.50 72.01 1htl s THR 4 CO 0.09 0.00 1.84 -0.29 -0.69 0.00 0.00 174.62 175.57 1htl h ILE 5 N 2.75 1.20 -0.95 1.82 2.10 -1.97 0.35 117.51 122.81 1htl h ILE 5 Ca -0.25 -0.44 0.06 0.00 1.08 0.00 0.00 64.86 65.31 1htl h ILE 5 Cb 1.17 0.23 -0.06 0.00 -1.09 0.00 0.00 36.82 37.06 1htl h ILE 5 CO 0.37 0.21 0.62 0.71 -1.08 0.00 0.00 178.15 178.97 1htl h THR 6 N 0.96 1.09 -0.02 2.19 1.35 -1.99 0.07 112.91 116.56 1htl h THR 6 Ca 0.25 -0.38 -0.11 0.00 -0.55 0.00 0.00 66.41 65.62 1htl h THR 6 Cb -0.03 -0.12 0.01 0.00 -1.73 0.00 0.00 68.15 66.28 1htl h THR 6 CO -0.05 0.20 -0.42 -0.08 -0.25 0.00 0.00 175.52 174.93 1htl h GLU 7 N 1.11 0.32 0.17 4.72 4.81 -1.74 -3.00 114.58 120.97 1htl h GLU 7 Ca 0.40 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1htl h GLU 7 Cb 0.15 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1htl h GLU 7 CO -0.15 1.00 -0.08 1.25 -0.73 0.00 0.00 179.01 180.30 1htl h LEU 8 N -0.24 -0.19 -0.37 1.64 6.46 0.11 -2.91 115.31 119.81 1htl h LEU 8 Ca -0.05 -0.03 0.08 0.00 -0.12 0.00 0.00 57.88 57.76 1htl h LEU 8 Cb 1.13 0.05 -0.08 0.00 -0.73 0.00 0.00 40.66 41.03 1htl h LEU 8 CO 0.08 -0.09 -0.14 0.00 -0.62 0.00 0.00 178.44 177.67 1htl n SER 10 N -5.33 0.00 -0.02 0.00 2.88 -1.10 -1.68 113.62 108.37 1htl n SER 10 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1htl n SER 10 Cb 0.25 -0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.71 1htl n SER 10 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1htl n GLU 11 N -0.61 1.86 -4.65 -1.46 0.28 -1.18 -4.98 120.64 109.90 1htl n GLU 11 Ca 0.00 -1.21 -0.33 0.00 -0.16 0.00 0.00 57.16 55.46 1htl n GLU 11 Cb 0.01 -0.85 -0.13 0.00 1.43 0.00 0.00 31.44 31.90 1htl n GLU 11 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1htl s TYR 12 N -0.74 2.89 0.55 -1.84 1.51 -0.68 -5.07 117.35 113.97 1htl s TYR 12 Ca 0.02 -0.43 -0.21 0.00 -1.01 0.00 0.00 57.07 55.44 1htl s TYR 12 Cb 0.01 -1.86 -0.05 0.00 -0.11 0.00 0.00 41.96 39.96 1htl s TYR 12 CO 0.00 -0.08 1.24 1.03 -1.11 0.00 0.00 175.55 176.63 1htl s ARG 13 N 0.18 3.20 -0.62 -0.62 0.52 -1.26 -3.49 118.95 116.85 1htl s ARG 13 Ca -0.05 1.92 -0.04 0.00 -0.52 0.00 0.00 55.73 57.04 1htl s ARG 13 Cb -0.15 -2.13 0.00 0.00 0.52 0.00 0.00 34.95 33.20 1htl s ARG 13 CO 0.04 -1.05 0.53 0.09 0.02 0.00 0.00 175.30 174.93 1htl n ASN 14 N -1.19 -3.98 -4.62 0.23 4.13 -1.26 -4.99 115.26 103.59 1htl n ASN 14 Ca 0.11 -0.24 -0.23 0.00 1.68 0.00 0.00 54.58 55.90 1htl n ASN 14 Cb 0.48 -2.55 -0.08 0.00 -1.54 0.00 0.00 39.78 36.09 1htl n ASN 14 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1htl s THR 15 N -3.13 3.16 -0.21 3.41 -4.23 -1.23 -1.28 115.64 112.14 1htl s THR 15 Ca 0.26 -1.98 -0.12 0.00 -1.18 0.00 0.00 61.69 58.67 1htl s THR 15 Cb -0.11 -2.77 0.07 0.00 1.34 0.00 0.00 72.50 71.02 1htl s THR 15 CO 0.32 -0.34 0.50 -1.58 -0.54 0.00 0.00 174.62 172.99 1htl s GLN 16 N -3.67 0.50 0.25 3.99 0.74 0.86 -4.73 119.66 117.60 1htl s GLN 16 Ca 0.32 0.92 -0.16 0.00 0.05 0.00 0.00 55.36 56.49 1htl s GLN 16 Cb -0.05 0.04 -0.08 0.00 1.10 0.00 0.00 33.01 34.02 1htl s GLN 16 CO 0.19 -0.15 0.69 0.42 -0.55 0.00 0.00 175.29 175.89 1htl s ILE 17 N 1.42 4.68 -0.08 -2.34 -1.09 -1.26 -1.64 121.20 120.88 1htl s ILE 17 Ca -0.09 1.04 -0.02 0.00 -2.23 0.00 0.00 60.65 59.35 1htl s ILE 17 Cb -0.07 -3.73 0.03 0.00 -1.58 0.00 0.00 42.46 37.11 1htl s ILE 17 CO -0.14 0.05 0.01 -0.31 -1.23 0.00 0.00 174.94 173.32 1htl s TYR 18 N -1.70 0.62 -0.47 3.97 1.51 -0.56 -4.95 117.35 115.77 1htl s TYR 18 Ca 0.47 -0.19 -0.23 0.00 -1.01 0.00 0.00 57.07 56.11 1htl s TYR 18 Cb -0.14 -0.79 0.03 0.00 -0.11 0.00 0.00 41.96 40.96 1htl s TYR 18 CO 0.19 -0.34 0.82 0.99 -1.11 0.00 0.00 175.55 176.10 1htl s THR 19 N 1.99 4.60 -0.23 -0.71 2.01 -1.26 -1.50 115.64 120.53 1htl s THR 19 Ca 0.04 0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.42 1htl s THR 19 Cb -0.13 -4.37 -0.19 0.00 0.01 0.00 0.00 72.50 67.82 1htl s THR 19 CO -0.05 -0.81 -0.12 -0.38 -0.69 0.00 0.00 174.62 172.57 1htl n ILE 20 N 6.15 1.54 -3.67 1.82 2.08 0.55 -5.00 119.36 122.83 1htl n ILE 20 Ca 0.02 -0.59 -0.20 0.00 0.56 0.00 0.00 62.75 62.54 1htl n ILE 20 Cb 0.48 -1.47 -0.06 0.00 -0.75 0.00 0.00 39.64 37.83 1htl n ILE 20 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1htl n ASN 21 N -3.30 0.47 -3.45 4.38 5.15 -0.54 -4.87 115.26 113.10 1htl n ASN 21 Ca -0.43 -0.82 -0.09 0.00 -0.60 0.00 0.00 54.58 52.64 1htl n ASN 21 Cb 1.00 -1.01 -0.01 0.00 -0.53 0.00 0.00 39.78 39.23 1htl n ASN 21 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1htl s ASP 22 N -3.89 -0.00 0.38 1.20 2.15 -1.14 -4.94 116.67 110.42 1htl s ASP 22 Ca 0.01 -0.96 0.07 0.00 0.43 0.00 0.00 52.55 52.10 1htl s ASP 22 Cb -0.01 0.75 -0.01 0.00 -0.30 0.00 0.00 42.92 43.35 1htl s ASP 22 CO 0.64 -1.44 0.46 -1.59 -0.17 0.00 0.00 175.17 173.06 1htl s LYS 23 N -3.22 2.86 0.15 4.34 -2.85 -1.26 -0.12 119.74 119.64 1htl s LYS 23 Ca 0.17 -1.22 -0.30 0.00 -1.00 0.00 0.00 55.97 53.61 1htl s LYS 23 Cb -0.04 -2.67 -0.07 0.00 -2.06 0.00 0.00 37.83 32.99 1htl s LYS 23 CO 0.10 -0.08 1.18 0.42 0.10 0.00 0.00 175.35 177.07 1htl s ILE 24 N -2.30 3.74 -0.08 3.79 1.01 -1.26 -4.69 121.20 121.41 1htl s ILE 24 Ca 0.48 1.41 0.04 0.00 0.00 0.00 0.00 60.65 62.58 1htl s ILE 24 Cb -0.08 -3.90 -0.24 0.00 0.01 0.00 0.00 42.46 38.24 1htl s ILE 24 CO 0.30 0.20 0.51 -0.11 0.00 0.00 0.00 174.94 175.84 1htl n LEU 25 N 2.84 1.70 -3.90 2.97 7.94 0.31 -4.95 117.00 123.91 1htl n LEU 25 Ca 0.05 0.31 -0.11 0.00 -1.11 0.00 0.00 56.01 55.16 1htl n LEU 25 Cb 0.45 -0.43 -0.11 0.00 0.53 0.00 0.00 43.42 43.86 1htl n LEU 25 CO 0.55 0.61 -0.23 -0.94 -1.11 0.00 0.00 177.39 176.27 1htl s SER 26 N -6.53 0.07 -0.08 1.96 1.04 -1.21 -4.98 113.70 103.98 1htl s SER 26 Ca -0.13 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1htl s SER 26 Cb 0.07 0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.39 1htl s SER 26 CO 0.80 -0.31 -0.06 -0.47 0.98 0.00 0.00 173.24 174.18 1htl s TYR 27 N -1.24 1.13 -0.08 5.02 6.14 -1.26 -2.56 117.35 124.50 1htl s TYR 27 Ca -0.13 -0.45 0.05 0.00 0.64 0.00 0.00 57.07 57.17 1htl s TYR 27 Cb -0.08 -0.98 -0.00 0.00 0.42 0.00 0.00 41.96 41.33 1htl s TYR 27 CO 0.01 -0.35 -0.24 0.99 0.64 0.00 0.00 175.55 176.59 1htl s THR 28 N 1.39 2.02 -0.03 4.34 2.01 -0.66 -5.02 115.64 119.69 1htl s THR 28 Ca -0.02 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 60.99 1htl s THR 28 Cb -0.13 -1.73 0.00 0.00 0.01 0.00 0.00 72.50 70.65 1htl s THR 28 CO -0.03 0.55 -0.10 -0.70 -0.69 0.00 0.00 174.62 173.65 1htl s GLU 29 N 0.18 1.07 -0.02 4.92 2.12 -1.26 -2.18 118.70 123.52 1htl s GLU 29 Ca -0.14 -0.34 0.04 0.00 0.36 0.00 0.00 54.97 54.89 1htl s GLU 29 Cb -0.16 -0.98 -0.00 0.00 0.26 0.00 0.00 34.13 33.24 1htl s GLU 29 CO 0.07 0.12 -0.12 0.45 -0.54 0.00 0.00 175.26 175.24 1htl s SER 30 N 0.20 1.55 -0.03 -1.70 0.15 -0.79 -4.97 113.70 108.10 1htl s SER 30 Ca -0.04 -0.24 0.07 0.00 0.70 0.00 0.00 55.95 56.44 1htl s SER 30 Cb -0.09 -0.31 0.17 0.00 -1.71 0.00 0.00 66.02 64.08 1htl s SER 30 CO 0.01 0.13 1.13 1.15 1.20 0.00 0.00 173.24 176.85 1htl n MET 31 N 3.03 2.72 -2.14 5.44 0.00 -1.26 -2.52 117.12 122.38 1htl n MET 31 Ca -0.16 -1.92 -0.36 0.00 0.00 0.00 0.00 57.70 55.25 1htl n MET 31 Cb 0.55 -1.22 0.01 0.00 0.00 0.00 0.00 33.22 32.56 1htl n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1htl s ALA 32 N -1.41 2.79 0.04 3.17 0.00 -1.26 -4.81 121.76 120.28 1htl s ALA 32 Ca 0.15 0.98 -0.32 0.00 0.00 0.00 0.00 51.96 52.76 1htl s ALA 32 Cb 0.10 -3.42 -0.11 0.00 0.00 0.00 0.00 23.12 19.69 1htl s ALA 32 CO 0.06 -0.89 1.86 0.41 0.00 0.00 0.00 175.76 177.19 1htl n GLY 33 N 0.43 1.60 3.23 0.00 0.00 -1.26 -1.94 105.19 107.25 1htl n GLY 33 Ca 0.10 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.90 1htl n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1htl n LYS 34 N 6.21 0.00 -0.39 1.61 5.02 -1.26 -4.75 118.16 124.60 1htl n LYS 34 Ca 0.20 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.56 1htl n LYS 34 Cb 0.35 -2.61 0.13 0.00 -0.02 0.00 0.00 35.03 32.88 1htl n LYS 34 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1htl n ARG 35 N -2.00 1.10 -2.00 1.97 5.12 -0.82 -4.88 116.66 115.14 1htl n ARG 35 Ca 0.00 -2.53 -0.36 0.00 -1.93 0.00 0.00 57.85 53.03 1htl n ARG 35 Cb 0.00 -1.28 -0.03 0.00 -1.16 0.00 0.00 32.46 29.98 1htl n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1htl s GLU 36 N -2.37 2.57 0.19 5.56 8.01 -0.93 -4.45 118.70 127.28 1htl s GLU 36 Ca 0.30 0.53 -0.24 0.00 0.01 0.00 0.00 54.97 55.57 1htl s GLU 36 Cb 0.28 -4.50 0.06 0.00 -4.31 0.00 0.00 34.13 25.65 1htl s GLU 36 CO -0.02 -2.88 0.92 0.00 0.01 0.00 0.00 175.26 173.29 1htl s MET 37 N 7.14 1.36 0.04 1.61 0.23 -1.05 -4.29 119.30 124.35 1htl s MET 37 Ca 0.70 -0.77 0.08 0.00 -1.03 0.00 0.00 55.69 54.67 1htl s MET 37 Cb -0.12 0.45 -0.03 0.00 -1.53 0.00 0.00 34.83 33.60 1htl s MET 37 CO 0.18 -0.62 -0.23 0.08 -2.03 0.00 0.00 175.02 172.40 1htl s VAL 38 N -3.25 1.82 -0.04 5.16 1.01 -1.24 -1.89 120.40 121.97 1htl s VAL 38 Ca 0.13 -1.25 0.01 0.00 0.00 0.00 0.00 61.98 60.86 1htl s VAL 38 Cb -0.02 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.81 1htl s VAL 38 CO 0.04 0.26 -0.02 -0.63 0.00 0.00 0.00 175.10 174.75 1htl s ILE 39 N -0.79 0.34 0.01 2.22 1.01 -0.93 -1.27 121.20 121.78 1htl s ILE 39 Ca 0.09 -0.01 0.06 0.00 0.00 0.00 0.00 60.65 60.79 1htl s ILE 39 Cb -0.09 -0.40 -0.02 0.00 0.01 0.00 0.00 42.46 41.96 1htl s ILE 39 CO 0.02 0.18 -0.18 0.27 0.00 0.00 0.00 174.94 175.22 1htl s ILE 40 N 0.98 1.47 0.25 2.92 -4.36 -0.49 -1.65 121.20 120.31 1htl s ILE 40 Ca -0.10 -0.91 0.11 0.00 -0.26 0.00 0.00 60.65 59.49 1htl s ILE 40 Cb -0.14 -1.24 -0.05 0.00 1.25 0.00 0.00 42.46 42.28 1htl s ILE 40 CO -0.01 0.32 -0.19 0.42 0.24 0.00 0.00 174.94 175.72 1htl s THR 41 N -0.56 2.28 0.11 8.37 -4.23 -1.06 -2.06 115.64 118.49 1htl s THR 41 Ca 0.07 -2.29 0.11 0.00 -1.18 0.00 0.00 61.69 58.39 1htl s THR 41 Cb -0.08 -2.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 1htl s THR 41 CO 0.00 -0.39 -0.27 -0.36 -0.54 0.00 0.00 174.62 173.06 1htl s PHE 42 N -2.46 2.30 0.35 3.99 0.08 -0.78 -0.53 117.98 120.92 1htl s PHE 42 Ca 0.27 -0.39 0.14 0.00 0.12 0.00 0.00 56.93 57.07 1htl s PHE 42 Cb -0.05 -1.28 1.14 0.00 -0.57 0.00 0.00 43.02 42.26 1htl s PHE 42 CO 0.12 0.29 1.59 -0.22 -0.10 0.00 0.00 175.22 176.89 1htl h LYS 43 N 4.11 0.04 -2.08 0.44 3.64 -1.91 -0.17 116.57 120.64 1htl h LYS 43 Ca -0.50 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.83 1htl h LYS 43 Cb 1.16 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1htl h LYS 43 CO 0.40 0.02 -0.06 -1.13 -2.27 0.00 0.00 179.45 176.42 1htl n SER 44 N -5.31 4.04 0.00 4.20 3.41 -1.26 -4.83 113.62 113.87 1htl n SER 44 Ca 0.33 -2.13 0.00 0.00 -0.26 0.00 0.00 58.87 56.81 1htl n SER 44 Cb 1.09 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1htl n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1htl n GLY 45 N 1.95 0.00 3.69 5.00 0.00 -0.08 -4.93 105.19 110.83 1htl n GLY 45 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 1htl n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1htl n GLU 46 N -0.07 2.46 -4.74 1.61 1.02 -1.25 -4.74 120.64 114.93 1htl n GLU 46 Ca 0.00 0.89 -0.30 0.00 -0.02 0.00 0.00 57.16 57.72 1htl n GLU 46 Cb 0.00 -2.69 -0.14 0.00 -0.02 0.00 0.00 31.44 28.59 1htl n GLU 46 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1htl s THR 47 N 0.99 2.47 0.08 2.62 2.01 -1.26 -1.87 115.64 120.67 1htl s THR 47 Ca 0.77 -1.33 -0.06 0.00 0.31 0.00 0.00 61.69 61.38 1htl s THR 47 Cb -0.59 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 69.89 1htl s THR 47 CO 0.36 0.33 0.11 -0.36 -0.69 0.00 0.00 174.62 174.37 1htl s PHE 48 N -0.89 0.28 0.24 4.92 0.08 -0.87 -3.62 117.98 118.12 1htl s PHE 48 Ca 0.13 -0.75 0.01 0.00 0.12 0.00 0.00 56.93 56.44 1htl s PHE 48 Cb -0.10 -0.17 -0.04 0.00 -0.57 0.00 0.00 43.02 42.13 1htl s PHE 48 CO 0.04 -0.49 0.14 1.14 -0.10 0.00 0.00 175.22 175.95 1htl s GLN 49 N -3.88 1.34 -0.26 0.44 -2.07 -0.69 -1.40 119.66 113.14 1htl s GLN 49 Ca 0.06 -1.73 0.02 0.00 -1.82 0.00 0.00 55.36 51.89 1htl s GLN 49 Cb 0.06 0.12 0.07 0.00 -1.09 0.00 0.00 33.01 32.17 1htl s GLN 49 CO -0.11 -0.40 -0.07 0.08 -1.32 0.00 0.00 175.29 173.47 1htl s VAL 50 N -3.95 1.96 1.07 3.63 1.01 -0.40 -1.00 120.40 122.73 1htl s VAL 50 Ca 0.39 -1.60 -0.17 0.00 0.00 0.00 0.00 61.98 60.60 1htl s VAL 50 Cb 0.06 -2.17 0.08 0.00 0.00 0.00 0.00 36.38 34.35 1htl s VAL 50 CO 0.14 -0.14 0.11 -0.62 0.00 0.00 0.00 175.10 174.60 1htl n GLU 51 N 4.49 -1.16 -2.68 2.72 1.02 -1.26 -3.61 120.64 120.16 1htl n GLU 51 Ca -0.11 -0.31 -0.34 0.00 -0.02 0.00 0.00 57.16 56.38 1htl n GLU 51 Cb 0.43 -1.74 -0.05 0.00 -0.02 0.00 0.00 31.44 30.06 1htl n GLU 51 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1htl s VAL 52 N -2.28 4.07 -0.58 2.62 1.01 -1.26 -4.83 120.40 119.15 1htl s VAL 52 Ca 0.56 1.35 -0.14 0.00 0.00 0.00 0.00 61.98 63.75 1htl s VAL 52 Cb -0.15 -3.58 -0.13 0.00 0.00 0.00 0.00 36.38 32.53 1htl s VAL 52 CO 0.67 -0.22 1.61 -0.81 0.00 0.00 0.00 175.10 176.35 1htl n PRO 53 N -0.62 0.06 -2.04 2.72 -0.04 -1.26 -4.86 135.00 128.96 1htl n PRO 53 Ca 0.07 -0.87 -0.38 0.00 -0.04 0.00 0.00 63.50 62.28 1htl n PRO 53 Cb 0.53 -2.53 0.01 0.00 -0.04 0.00 0.00 33.50 31.47 1htl n PRO 53 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1htl s GLY 54 N 4.49 2.87 0.57 0.55 0.00 -1.26 -4.91 107.32 109.63 1htl s GLY 54 Ca 0.45 1.18 0.30 0.00 0.00 0.00 0.00 44.72 46.65 1htl s GLY 54 CO 0.11 1.71 2.18 1.76 0.00 0.00 0.00 173.10 178.86 1htl h SER 55 N 2.16 0.00 0.07 1.64 0.02 -2.03 -1.79 113.55 113.61 1htl h SER 55 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1htl h SER 55 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1htl h SER 55 CO 0.60 0.05 0.00 1.67 -1.14 0.00 0.00 176.83 178.01 1htl n GLN 56 N -3.69 0.69 -3.19 3.45 7.27 -1.26 -4.81 117.38 115.84 1htl n GLN 56 Ca -0.02 0.01 -0.31 0.00 0.07 0.00 0.00 57.00 56.75 1htl n GLN 56 Cb 0.15 -1.50 -0.04 0.00 2.41 0.00 0.00 30.24 31.26 1htl n GLN 56 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 1htl s HIS 57 N -2.09 3.44 0.46 3.69 3.76 -0.68 -5.10 115.29 118.77 1htl s HIS 57 Ca 0.34 0.93 0.00 0.00 -0.15 0.00 0.00 55.06 56.19 1htl s HIS 57 Cb 0.17 -2.33 0.00 0.00 1.11 0.00 0.00 32.58 31.53 1htl s HIS 57 CO 0.29 0.11 0.69 0.96 -0.85 0.00 0.00 174.74 175.94 1htl s ILE 58 N -2.07 3.81 0.15 0.60 -4.36 -1.26 -5.01 121.20 113.07 1htl s ILE 58 Ca 0.49 -0.52 0.33 0.00 -0.26 0.00 0.00 60.65 60.70 1htl s ILE 58 Cb -0.11 -3.41 0.38 0.00 1.25 0.00 0.00 42.46 40.57 1htl s ILE 58 CO 0.25 -0.29 2.00 0.44 0.24 0.00 0.00 174.94 177.58 1htl h ASP 59 N 0.35 0.00 1.43 4.36 5.19 -1.99 -2.53 116.42 123.23 1htl h ASP 59 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 1htl h ASP 59 Cb 1.26 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.77 1htl h ASP 59 CO 0.56 0.02 0.00 0.28 -3.12 0.00 0.00 179.24 176.99 1htl h SER 60 N 0.00 0.00 0.88 6.45 0.02 -2.01 -2.74 113.55 116.15 1htl h SER 60 Ca -0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 1htl h SER 60 Cb 0.49 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 1htl h SER 60 CO 0.00 0.00 -1.21 -0.61 -1.14 0.00 0.00 176.83 173.87 1htl h GLN 61 N 0.00 0.00 -0.01 3.45 4.15 -1.86 -2.95 115.11 117.89 1htl h GLN 61 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.45 1htl h GLN 61 Cb 0.72 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.36 1htl h GLN 61 CO 0.00 0.56 -0.27 0.87 -1.93 0.00 0.00 178.83 178.05 1htl h LYS 62 N 0.00 -0.39 -0.64 1.69 6.56 -1.33 0.73 116.57 123.18 1htl h LYS 62 Ca -0.13 0.03 -0.05 0.00 -1.06 0.00 0.00 60.65 59.44 1htl h LYS 62 Cb 1.70 0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 33.42 1htl h LYS 62 CO 0.08 -0.26 0.20 0.87 -2.06 0.00 0.00 179.45 178.27 1htl h LYS 63 N -0.41 0.98 0.00 3.15 1.57 -1.64 -2.79 116.57 117.43 1htl h LYS 63 Ca 0.07 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 1htl h LYS 63 Cb 0.50 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1htl h LYS 63 CO -0.24 0.84 -0.37 0.00 -0.57 0.00 0.00 179.45 179.11 1htl h ALA 64 N 1.27 1.11 -0.02 3.86 0.00 -0.98 -2.34 119.26 122.15 1htl h ALA 64 Ca 0.21 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1htl h ALA 64 Cb 0.27 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1htl h ALA 64 CO -0.01 0.46 -0.03 0.82 0.00 0.00 0.00 179.25 180.49 1htl h ILE 65 N 0.00 1.39 -0.57 0.00 2.04 0.67 -2.04 117.51 119.01 1htl h ILE 65 Ca -0.00 -1.20 0.02 0.00 1.00 0.00 0.00 64.86 64.68 1htl h ILE 65 Cb 0.80 2.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.99 1htl h ILE 65 CO 0.05 0.32 0.38 -0.33 0.00 0.00 0.00 178.15 178.56 1htl h GLU 66 N -0.42 0.69 -0.37 2.37 4.39 -1.49 -1.61 114.58 118.15 1htl h GLU 66 Ca 0.00 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 1htl h GLU 66 Cb 0.53 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1htl h GLU 66 CO 0.01 0.46 0.09 -0.09 -1.16 0.00 0.00 179.01 178.31 1htl h ARG 67 N 0.71 0.59 -0.45 2.33 2.43 -1.28 -2.16 114.38 116.55 1htl h ARG 67 Ca 0.22 -0.14 0.05 0.00 -0.81 0.00 0.00 59.98 59.30 1htl h ARG 67 Cb -0.00 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.42 1htl h ARG 67 CO -0.05 0.63 0.17 1.98 -1.51 0.00 0.00 179.97 181.19 1htl h MET 68 N 0.44 0.34 -0.95 0.20 4.05 -0.57 0.42 114.93 118.86 1htl h MET 68 Ca 0.11 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.53 1htl h MET 68 Cb 0.31 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 30.98 1htl h MET 68 CO 0.00 0.22 0.63 0.87 0.23 0.00 0.00 176.91 178.86 1htl h LYS 69 N 0.35 1.23 -0.44 0.39 1.57 -1.19 0.37 116.57 118.84 1htl h LYS 69 Ca 0.21 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1htl h LYS 69 Cb 0.19 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1htl h LYS 69 CO -0.20 0.81 0.24 -0.44 -0.57 0.00 0.00 179.45 179.29 1htl h ASP 70 N 1.26 0.55 -0.65 0.86 3.32 -0.57 -2.07 116.42 119.13 1htl h ASP 70 Ca 0.35 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1htl h ASP 70 Cb -0.11 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 1htl h ASP 70 CO -0.08 0.48 0.41 0.74 -1.72 0.00 0.00 179.24 179.07 1htl h THR 71 N 0.58 1.18 -0.49 0.35 2.02 0.19 -2.51 112.91 114.23 1htl h THR 71 Ca 0.16 -0.35 -0.07 0.00 0.77 0.00 0.00 66.41 66.92 1htl h THR 71 Cb 0.05 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 1htl h THR 71 CO -0.02 0.17 0.01 -0.07 0.37 0.00 0.00 175.52 175.98 1htl h LEU 72 N 0.88 0.77 0.03 2.58 3.38 -0.61 -0.12 115.31 122.22 1htl h LEU 72 Ca 0.24 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1htl h LEU 72 Cb -0.07 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1htl h LEU 72 CO -0.05 0.83 -0.02 -0.09 0.09 0.00 0.00 178.44 179.21 1htl h ARG 73 N 0.75 -0.04 -0.12 1.13 2.43 -1.20 -0.22 114.38 117.11 1htl h ARG 73 Ca 0.15 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.20 1htl h ARG 73 Cb 0.44 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1htl h ARG 73 CO 0.02 0.20 -0.44 0.97 -1.51 0.00 0.00 179.97 179.21 1htl h ILE 74 N -0.29 1.32 -0.16 1.20 6.09 -1.36 0.06 117.51 124.38 1htl h ILE 74 Ca -0.00 -1.61 -0.02 0.00 -1.37 0.00 0.00 64.86 61.85 1htl h ILE 74 Cb 0.26 1.72 -0.01 0.00 0.47 0.00 0.00 36.82 39.27 1htl h ILE 74 CO 0.01 0.48 0.01 0.74 -3.07 0.00 0.00 178.15 176.32 1htl h THR 75 N 0.24 1.24 0.34 2.19 2.02 -0.99 -1.23 112.91 116.72 1htl h THR 75 Ca 0.02 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.38 1htl h THR 75 Cb 0.88 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1htl h THR 75 CO 0.07 0.24 -0.16 0.22 0.37 0.00 0.00 175.52 176.26 1htl h TYR 76 N 0.03 -0.42 -0.41 3.16 3.20 -0.85 -2.08 116.97 119.59 1htl h TYR 76 Ca 0.05 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.97 1htl h TYR 76 Cb 0.35 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 1htl h TYR 76 CO 0.03 -0.21 0.28 -0.07 -1.64 0.00 0.00 178.16 176.55 1htl h LEU 77 N -0.53 0.26 -0.55 2.82 3.38 -0.98 -2.59 115.31 117.11 1htl h LEU 77 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1htl h LEU 77 Cb 0.40 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1htl h LEU 77 CO 0.08 0.17 -0.20 0.35 0.09 0.00 0.00 178.44 178.92 1htl n THR 78 N -4.47 0.00 -3.31 0.22 -2.24 -0.47 -4.96 114.28 99.05 1htl n THR 78 Ca 0.05 -0.14 -0.22 0.00 -2.27 0.00 0.00 64.05 61.47 1htl n THR 78 Cb 0.27 0.38 0.06 0.00 -2.10 0.00 0.00 70.33 68.93 1htl n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1htl n GLU 79 N -0.54 -6.36 -2.99 -0.78 1.02 -0.81 -4.95 120.64 105.24 1htl n GLU 79 Ca 0.13 0.81 -0.41 0.00 -0.02 0.00 0.00 57.16 57.68 1htl n GLU 79 Cb 0.34 -5.65 -0.05 0.00 -0.02 0.00 0.00 31.44 26.07 1htl n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1htl s THR 80 N -3.24 4.96 0.15 2.62 2.01 -1.04 -4.90 115.64 116.19 1htl s THR 80 Ca 0.45 1.46 -0.30 0.00 0.31 0.00 0.00 61.69 63.60 1htl s THR 80 Cb -0.20 -4.06 -0.08 0.00 0.01 0.00 0.00 72.50 68.17 1htl s THR 80 CO 0.55 0.10 1.30 -0.54 -0.69 0.00 0.00 174.62 175.34 1htl s LYS 81 N 1.81 4.39 0.11 4.92 1.02 -1.26 -4.59 119.74 126.14 1htl s LYS 81 Ca 0.35 1.99 -0.16 0.00 0.02 0.00 0.00 55.97 58.17 1htl s LYS 81 Cb -0.17 -3.24 -0.07 0.00 -0.52 0.00 0.00 37.83 33.83 1htl s LYS 81 CO 0.13 -0.29 0.54 0.42 -0.92 0.00 0.00 175.35 175.23 1htl s ILE 82 N 0.56 4.85 0.00 2.17 1.01 0.83 -4.44 121.20 126.18 1htl s ILE 82 Ca 0.59 0.93 0.00 0.00 0.00 0.00 0.00 60.65 62.16 1htl s ILE 82 Cb -0.35 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.35 1htl s ILE 82 CO 0.34 0.37 0.00 -0.67 0.00 0.00 0.00 174.94 174.97 1htl n ASP 83 N 1.16 0.00 -4.29 3.58 -0.08 -0.76 -1.47 116.55 114.69 1htl n ASP 83 Ca -0.08 0.28 -0.15 0.00 -1.51 0.00 0.00 54.79 53.33 1htl n ASP 83 Cb 0.52 -0.44 -0.10 0.00 2.34 0.00 0.00 41.12 43.44 1htl n ASP 83 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1htl s LYS 84 N -0.88 1.24 -0.06 -0.67 1.02 -1.25 -0.33 119.74 118.82 1htl s LYS 84 Ca 0.00 -1.62 0.01 0.00 0.02 0.00 0.00 55.97 54.38 1htl s LYS 84 Cb 0.00 -0.40 0.02 0.00 -0.52 0.00 0.00 37.83 36.94 1htl s LYS 84 CO 0.00 -0.14 -0.05 -0.51 -0.92 0.00 0.00 175.35 173.72 1htl s LEU 85 N -3.24 1.25 -0.09 3.17 1.43 -0.56 -2.13 118.68 118.50 1htl s LEU 85 Ca 0.28 -0.17 -0.14 0.00 -1.03 0.00 0.00 54.13 53.07 1htl s LEU 85 Cb 0.06 -0.56 -0.05 0.00 0.03 0.00 0.00 46.19 45.67 1htl s LEU 85 CO 0.07 -0.07 0.33 0.00 0.23 0.00 0.00 176.35 176.91 1htl s VAL 87 N -0.30 0.09 -0.17 0.00 -7.23 -0.65 -1.16 120.40 110.97 1htl s VAL 87 Ca 0.20 -1.54 -0.16 0.00 -1.81 0.00 0.00 61.98 58.67 1htl s VAL 87 Cb -0.14 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.90 1htl s VAL 87 CO 0.08 -0.39 0.39 0.26 -0.31 0.00 0.00 175.10 175.12 1htl s TRP 88 N -3.98 3.44 -0.97 2.82 0.51 0.08 -0.10 118.94 120.74 1htl s TRP 88 Ca 0.18 0.68 0.15 0.00 -2.12 0.00 0.00 56.10 55.00 1htl s TRP 88 Cb 0.05 -2.47 0.67 0.00 -0.81 0.00 0.00 33.47 30.91 1htl s TRP 88 CO -0.01 0.12 1.56 0.27 -0.51 0.00 0.00 176.95 178.38 1htl n ASN 89 N 3.96 4.56 -0.79 2.95 0.23 -0.40 -2.73 115.26 123.05 1htl n ASN 89 Ca -0.09 -2.51 0.08 0.00 -0.53 0.00 0.00 54.58 51.53 1htl n ASN 89 Cb 0.51 -0.58 0.24 0.00 -2.08 0.00 0.00 39.78 37.87 1htl n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1htl n ASN 90 N 0.89 3.52 -4.32 0.53 6.94 -1.26 -4.99 115.26 116.56 1htl n ASN 90 Ca 0.24 -3.10 -0.17 0.00 -0.02 0.00 0.00 54.58 51.53 1htl n ASN 90 Cb 0.89 -0.54 -0.10 0.00 -2.36 0.00 0.00 39.78 37.67 1htl n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1htl s LYS 91 N -2.88 1.31 -0.06 -3.83 -0.14 -1.26 -5.09 119.74 107.79 1htl s LYS 91 Ca 0.41 -1.65 -0.01 0.00 -1.36 0.00 0.00 55.97 53.36 1htl s LYS 91 Cb 0.34 -0.62 0.03 0.00 -1.68 0.00 0.00 37.83 35.89 1htl s LYS 91 CO 0.07 -0.08 -0.00 0.99 -0.76 0.00 0.00 175.35 175.57 1htl s THR 92 N -3.41 0.34 0.99 2.17 2.01 -1.26 -3.29 115.64 113.18 1htl s THR 92 Ca 0.27 0.10 -0.12 0.00 0.31 0.00 0.00 61.69 62.25 1htl s THR 92 Cb 0.05 -0.47 0.18 0.00 0.01 0.00 0.00 72.50 72.28 1htl s THR 92 CO 0.08 0.23 1.10 -2.16 -0.69 0.00 0.00 174.62 173.18 1htl s PRO 93 N 1.66 0.50 0.15 4.92 0.04 -1.26 -5.03 135.00 135.99 1htl s PRO 93 Ca 0.00 0.51 -0.34 0.00 0.04 0.00 0.00 61.00 61.21 1htl s PRO 93 Cb -0.13 -1.75 -0.15 0.00 0.04 0.00 0.00 34.50 32.52 1htl s PRO 93 CO -0.04 -2.68 1.37 0.09 0.04 0.00 0.00 177.00 175.78 1htl n ASN 94 N -4.14 2.13 -4.67 6.66 5.03 -1.21 -4.47 115.26 114.59 1htl n ASN 94 Ca 0.05 1.12 -0.40 0.00 0.87 0.00 0.00 54.58 56.22 1htl n ASN 94 Cb 0.57 -1.30 -0.05 0.00 -1.02 0.00 0.00 39.78 37.98 1htl n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1htl s SER 95 N 0.43 6.81 0.32 6.41 0.15 -1.10 -1.70 113.70 125.02 1htl s SER 95 Ca 0.77 0.99 -0.28 0.00 0.70 0.00 0.00 55.95 58.13 1htl s SER 95 Cb -0.80 -2.39 -0.10 0.00 -1.71 0.00 0.00 66.02 61.02 1htl s SER 95 CO 0.46 -0.30 1.18 -0.63 1.20 0.00 0.00 173.24 175.16 1htl s ILE 96 N 1.88 3.16 0.00 6.45 1.01 -0.17 -0.74 121.20 132.79 1htl s ILE 96 Ca 0.33 1.13 0.00 0.00 0.00 0.00 0.00 60.65 62.11 1htl s ILE 96 Cb -0.16 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.61 1htl s ILE 96 CO 0.12 0.23 0.16 0.00 0.00 0.00 0.00 174.94 175.45 1htl n ALA 97 N 0.80 0.79 0.00 9.38 0.00 -0.31 -4.86 120.51 126.32 1htl n ALA 97 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1htl n ALA 97 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1htl n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1htl n ALA 98 N -0.00 0.00 -3.05 0.00 0.00 -1.04 -4.92 120.51 111.50 1htl n ALA 98 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1htl n ALA 98 Cb 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.54 1htl n ALA 98 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1htl s ILE 99 N -2.00 0.08 0.16 0.00 2.07 -1.26 -0.83 121.20 119.41 1htl s ILE 99 Ca 0.00 -0.67 0.04 0.00 -1.41 0.00 0.00 60.65 58.61 1htl s ILE 99 Cb 0.00 -0.80 -0.05 0.00 0.13 0.00 0.00 42.46 41.75 1htl s ILE 99 CO 0.00 -0.37 -0.09 -0.94 -1.91 0.00 0.00 174.94 171.63 1htl s SER 100 N -1.80 1.80 0.04 4.50 1.04 -0.90 -5.01 113.70 113.37 1htl s SER 100 Ca -0.08 -1.04 -0.08 0.00 0.48 0.00 0.00 55.95 55.23 1htl s SER 100 Cb -0.03 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1htl s SER 100 CO -0.01 -0.35 0.17 -0.04 0.98 0.00 0.00 173.24 173.99 1htl s MET 101 N -3.76 0.65 -0.07 4.02 -1.94 -1.26 -1.84 119.30 115.11 1htl s MET 101 Ca 0.18 -0.64 -0.09 0.00 -1.71 0.00 0.00 55.69 53.44 1htl s MET 101 Cb 0.03 0.27 0.02 0.00 2.01 0.00 0.00 34.83 37.16 1htl s MET 101 CO 0.01 -0.18 0.23 0.21 -0.01 0.00 0.00 175.02 175.28 1htl s LYS 102 N -2.47 0.34 0.00 2.03 2.20 -1.26 -4.90 119.74 115.68 1htl s LYS 102 Ca -0.06 0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.71 1htl s LYS 102 Cb -0.02 0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 1htl s LYS 102 CO -0.04 -0.06 0.00 0.09 -0.36 0.00 0.00 175.35 174.99