#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 1.81 0.00 0.00 0.02 -1.26 -4.96 135.00 130.61 1htl s PRO 2 Ca 0.00 1.27 0.00 0.00 0.02 0.00 0.00 61.00 62.29 1htl s PRO 2 Cb 0.00 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.68 1htl s PRO 2 CO 0.00 -1.99 0.59 1.04 -0.33 0.00 0.00 177.00 176.31 1htl n GLN 3 N -3.77 0.61 -3.55 5.54 6.02 -1.26 -4.97 117.38 116.01 1htl n GLN 3 Ca 0.10 -0.69 -0.11 0.00 -0.01 0.00 0.00 57.00 56.28 1htl n GLN 3 Cb 0.53 -0.61 -0.04 0.00 1.02 0.00 0.00 30.24 31.14 1htl n GLN 3 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1htl s THR 4 N -0.21 0.04 0.45 5.09 -4.23 -1.26 -5.02 115.64 110.50 1htl s THR 4 Ca 0.00 -0.33 0.14 0.00 -1.18 0.00 0.00 61.69 60.32 1htl s THR 4 Cb 0.00 -1.09 0.19 0.00 1.34 0.00 0.00 72.50 72.95 1htl s THR 4 CO 0.00 -0.18 2.01 -0.29 -0.54 0.00 0.00 174.62 175.62 1htl h ILE 5 N 2.25 1.12 0.07 2.99 2.10 -1.98 -1.39 117.51 122.66 1htl h ILE 5 Ca -0.34 -0.54 -0.00 0.00 1.08 0.00 0.00 64.86 65.06 1htl h ILE 5 Cb 1.27 1.26 0.00 0.00 -1.09 0.00 0.00 36.82 38.26 1htl h ILE 5 CO 0.43 0.16 -0.03 0.71 -1.08 0.00 0.00 178.15 178.34 1htl h THR 6 N 0.04 1.18 -0.54 2.19 1.35 -1.98 -0.33 112.91 114.82 1htl h THR 6 Ca 0.01 -0.91 0.05 0.00 -0.55 0.00 0.00 66.41 65.00 1htl h THR 6 Cb 0.27 1.77 -0.05 0.00 -1.73 0.00 0.00 68.15 68.41 1htl h THR 6 CO 0.02 0.22 0.28 -0.33 -0.25 0.00 0.00 175.52 175.46 1htl h GLU 7 N -0.51 0.52 -0.35 4.72 5.08 -1.92 -1.79 114.58 120.34 1htl h GLU 7 Ca -0.01 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.16 1htl h GLU 7 Cb 0.44 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1htl h GLU 7 CO 0.02 0.35 -0.40 1.25 -1.00 0.00 0.00 179.01 179.23 1htl h LEU 8 N 0.54 0.96 -1.18 1.33 6.46 -1.27 -3.25 115.31 118.90 1htl h LEU 8 Ca 0.24 -0.48 -0.05 0.00 -0.12 0.00 0.00 57.88 57.46 1htl h LEU 8 Cb 0.14 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.79 1htl h LEU 8 CO -0.16 1.24 -0.26 0.00 -0.62 0.00 0.00 178.44 178.64 1htl n SER 10 N -3.49 0.00 -0.93 0.00 7.64 -0.69 -3.29 113.62 112.86 1htl n SER 10 Ca -0.00 -1.40 0.12 0.00 1.01 0.00 0.00 58.87 58.60 1htl n SER 10 Cb 0.42 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.83 1htl n SER 10 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1htl n GLU 11 N -0.79 2.26 -4.53 1.43 -0.58 -1.14 -4.97 120.64 112.32 1htl n GLU 11 Ca 0.14 -1.86 -0.29 0.00 -0.42 0.00 0.00 57.16 54.73 1htl n GLU 11 Cb 0.06 -1.47 -0.08 0.00 -0.57 0.00 0.00 31.44 29.38 1htl n GLU 11 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1htl s TYR 12 N -1.84 2.19 -0.05 -0.32 1.51 -1.21 -5.14 117.35 112.49 1htl s TYR 12 Ca 0.33 -0.79 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 1htl s TYR 12 Cb 0.21 -1.76 -0.03 0.00 -0.11 0.00 0.00 41.96 40.27 1htl s TYR 12 CO 0.31 0.23 -0.08 1.03 -1.11 0.00 0.00 175.55 175.93 1htl s ARG 13 N -3.86 2.69 -0.66 -0.62 0.52 -1.26 -4.56 118.95 111.19 1htl s ARG 13 Ca 0.24 -0.59 -0.04 0.00 -0.52 0.00 0.00 55.73 54.82 1htl s ARG 13 Cb 0.05 -2.55 0.00 0.00 0.52 0.00 0.00 34.95 32.97 1htl s ARG 13 CO 0.13 0.65 0.57 0.09 0.02 0.00 0.00 175.30 176.76 1htl n ASN 14 N 2.11 -3.96 -4.24 0.23 4.13 -1.26 -4.99 115.26 107.28 1htl n ASN 14 Ca -0.17 -0.27 -0.28 0.00 1.68 0.00 0.00 54.58 55.54 1htl n ASN 14 Cb 0.53 -2.72 -0.16 0.00 -1.54 0.00 0.00 39.78 35.90 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 -3.16 1.73 0.11 3.41 -4.23 -1.26 -2.15 115.64 110.09 1htl s THR 15 Ca 0.26 -0.93 0.07 0.00 -1.18 0.00 0.00 61.69 59.92 1htl s THR 15 Cb -0.12 -1.44 -0.04 0.00 1.34 0.00 0.00 72.50 72.25 1htl s THR 15 CO 0.36 0.49 -0.19 -1.58 -0.54 0.00 0.00 174.62 173.16 1htl s GLN 16 N -0.48 1.08 -0.27 3.99 0.74 0.35 -4.94 119.66 120.13 1htl s GLN 16 Ca 0.07 -1.17 -0.06 0.00 0.05 0.00 0.00 55.36 54.26 1htl s GLN 16 Cb -0.09 -1.23 -0.00 0.00 1.10 0.00 0.00 33.01 32.80 1htl s GLN 16 CO -0.01 0.27 0.05 0.42 -0.55 0.00 0.00 175.29 175.47 1htl s ILE 17 N -1.42 3.85 -0.14 -2.34 -1.09 -1.26 -0.86 121.20 117.94 1htl s ILE 17 Ca 0.06 -0.57 -0.06 0.00 -2.23 0.00 0.00 60.65 57.85 1htl s ILE 17 Cb -0.09 -2.90 -0.04 0.00 -1.58 0.00 0.00 42.46 37.85 1htl s ILE 17 CO 0.04 0.20 0.07 -0.31 -1.23 0.00 0.00 174.94 173.72 1htl s TYR 18 N 1.51 3.34 -0.26 3.97 2.02 -0.73 -4.97 117.35 122.23 1htl s TYR 18 Ca 0.04 0.27 -0.07 0.00 -0.37 0.00 0.00 57.07 56.93 1htl s TYR 18 Cb -0.16 -1.96 -0.02 0.00 -0.40 0.00 0.00 41.96 39.43 1htl s TYR 18 CO 0.01 0.44 0.07 0.99 -1.57 0.00 0.00 175.55 175.49 1htl s THR 19 N -0.44 4.16 -0.22 -0.71 2.01 -1.26 -1.09 115.64 118.09 1htl s THR 19 Ca 0.10 -0.34 -0.16 0.00 0.31 0.00 0.00 61.69 61.60 1htl s THR 19 Cb -0.12 -3.00 -0.09 0.00 0.01 0.00 0.00 72.50 69.31 1htl s THR 19 CO 0.02 0.27 -0.33 -0.38 -0.69 0.00 0.00 174.62 173.51 1htl n ILE 20 N 4.90 1.51 -3.77 1.82 2.08 -0.34 -4.99 119.36 120.57 1htl n ILE 20 Ca -0.16 -0.07 -0.29 0.00 0.56 0.00 0.00 62.75 62.79 1htl n ILE 20 Cb 0.50 -2.16 0.02 0.00 -0.75 0.00 0.00 39.64 37.25 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 -4.38 -4.66 -3.82 4.38 4.05 -0.31 -4.95 115.26 105.56 1htl n ASN 21 Ca -0.30 -0.69 -0.10 0.00 0.45 0.00 0.00 54.58 53.94 1htl n ASN 21 Cb 0.66 -3.75 -0.07 0.00 1.23 0.00 0.00 39.78 37.85 1htl n ASN 21 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1htl s ASP 22 N -3.14 0.03 0.57 1.20 2.15 -1.10 -4.95 116.67 111.43 1htl s ASP 22 Ca 0.60 -0.47 -0.06 0.00 0.43 0.00 0.00 52.55 53.05 1htl s ASP 22 Cb -0.30 0.34 -0.01 0.00 -0.30 0.00 0.00 42.92 42.65 1htl s ASP 22 CO 0.74 -0.67 0.89 -1.59 -0.17 0.00 0.00 175.17 174.37 1htl s LYS 23 N -3.26 3.13 0.78 4.34 -2.85 -1.26 -1.70 119.74 118.92 1htl s LYS 23 Ca 0.00 0.13 -0.14 0.00 -1.00 0.00 0.00 55.97 54.97 1htl s LYS 23 Cb 0.02 -2.27 0.07 0.00 -2.06 0.00 0.00 37.83 33.59 1htl s LYS 23 CO -0.08 -0.58 1.19 0.42 0.10 0.00 0.00 175.35 176.41 1htl s ILE 24 N -2.96 2.24 -0.15 3.79 1.01 -1.26 -4.74 121.20 119.14 1htl s ILE 24 Ca 0.52 0.11 -0.09 0.00 0.00 0.00 0.00 60.65 61.20 1htl s ILE 24 Cb -0.11 -2.55 -0.07 0.00 0.01 0.00 0.00 42.46 39.74 1htl s ILE 24 CO 0.46 -0.08 -0.22 -0.11 0.00 0.00 0.00 174.94 175.00 1htl n LEU 25 N -3.13 1.25 -4.36 2.97 7.94 0.22 -4.98 117.00 116.91 1htl n LEU 25 Ca 0.13 0.21 -0.21 0.00 -1.11 0.00 0.00 56.01 55.04 1htl n LEU 25 Cb 0.51 -0.51 -0.11 0.00 0.53 0.00 0.00 43.42 43.84 1htl n LEU 25 CO 0.48 0.21 -0.46 -0.55 -1.11 0.00 0.00 177.39 175.96 1htl s SER 26 N -6.41 2.78 -0.05 1.96 0.15 -1.01 -4.99 113.70 106.14 1htl s SER 26 Ca -0.22 -0.95 -0.02 0.00 0.70 0.00 0.00 55.95 55.45 1htl s SER 26 Cb 0.08 -0.17 0.03 0.00 -1.71 0.00 0.00 66.02 64.25 1htl s SER 26 CO 0.29 -0.08 0.07 -0.47 1.20 0.00 0.00 173.24 174.25 1htl s TYR 27 N -2.51 0.02 -0.01 3.44 6.14 -1.26 -3.15 117.35 120.02 1htl s TYR 27 Ca 0.21 0.31 0.07 0.00 0.64 0.00 0.00 57.07 58.30 1htl s TYR 27 Cb -0.04 -0.42 -0.02 0.00 0.42 0.00 0.00 41.96 41.90 1htl s TYR 27 CO 0.08 -0.20 -0.22 0.99 0.64 0.00 0.00 175.55 176.85 1htl s THR 28 N 2.09 1.74 -0.03 4.34 2.01 -0.45 -5.00 115.64 120.35 1htl s THR 28 Ca 0.03 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.05 1htl s THR 28 Cb -0.12 -1.45 0.02 0.00 0.01 0.00 0.00 72.50 70.96 1htl s THR 28 CO -0.03 0.45 -0.01 -0.70 -0.69 0.00 0.00 174.62 173.63 1htl s GLU 29 N -0.63 0.36 -0.08 4.92 2.12 -1.26 -0.80 118.70 123.33 1htl s GLU 29 Ca 0.08 0.01 0.04 0.00 0.36 0.00 0.00 54.97 55.46 1htl s GLU 29 Cb -0.09 -0.48 0.00 0.00 0.26 0.00 0.00 34.13 33.83 1htl s GLU 29 CO -0.00 -0.08 -0.20 0.45 -0.54 0.00 0.00 175.26 174.88 1htl s SER 30 N 0.76 2.62 0.00 -1.70 0.15 0.36 -4.93 113.70 110.96 1htl s SER 30 Ca -0.08 -0.46 0.21 0.00 0.70 0.00 0.00 55.95 56.32 1htl s SER 30 Cb -0.11 -1.12 -0.03 0.00 -1.71 0.00 0.00 66.02 63.05 1htl s SER 30 CO -0.01 0.13 1.03 0.80 1.20 0.00 0.00 173.24 176.39 1htl n MET 31 N 3.53 1.21 -1.68 5.44 0.00 -1.26 -2.40 117.12 121.96 1htl n MET 31 Ca -0.20 -0.88 -0.59 0.00 0.00 0.00 0.00 57.70 56.03 1htl n MET 31 Cb 0.53 -1.44 -0.08 0.00 0.00 0.00 0.00 33.22 32.23 1htl n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1htl n ALA 32 N -0.16 -0.82 -1.53 -5.12 0.00 -1.26 -4.72 120.51 106.90 1htl n ALA 32 Ca 0.08 0.45 -0.34 0.00 0.00 0.00 0.00 53.44 53.63 1htl n ALA 32 Cb 0.44 -2.10 -0.08 0.00 0.00 0.00 0.00 19.45 17.70 1htl n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1htl n GLY 33 N 3.69 -0.09 0.00 0.00 0.00 -1.26 0.27 105.19 107.80 1htl n GLY 33 Ca 0.26 0.72 0.00 0.00 0.00 0.00 0.00 46.02 47.00 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 8.64 0.00 -1.36 1.61 4.76 -1.26 -4.95 118.16 125.59 1htl n LYS 34 Ca 0.48 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.85 1htl n LYS 34 Cb 0.36 0.00 0.11 0.00 -1.84 0.00 0.00 35.03 33.67 1htl n LYS 34 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1htl n ARG 35 N -0.70 2.39 -1.82 1.97 3.00 0.14 -4.96 116.66 116.68 1htl n ARG 35 Ca 0.00 -3.62 -0.28 0.00 -0.00 0.00 0.00 57.85 53.95 1htl n ARG 35 Cb 0.00 -1.82 -0.05 0.00 0.00 0.00 0.00 32.46 30.59 1htl n ARG 35 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1htl s GLU 36 N -3.26 2.23 0.31 -0.14 8.01 -1.14 -4.48 118.70 120.22 1htl s GLU 36 Ca 0.43 0.48 -0.13 0.00 0.01 0.00 0.00 54.97 55.76 1htl s GLU 36 Cb 0.39 -4.73 0.02 0.00 -4.31 0.00 0.00 34.13 25.49 1htl s GLU 36 CO -0.03 -3.48 0.60 0.00 0.01 0.00 0.00 175.26 172.36 1htl s MET 37 N 7.77 1.84 -0.02 1.61 0.23 -1.01 -4.07 119.30 125.65 1htl s MET 37 Ca 0.81 -1.35 0.04 0.00 -1.03 0.00 0.00 55.69 54.17 1htl s MET 37 Cb -0.12 0.53 -0.01 0.00 -1.53 0.00 0.00 34.83 33.70 1htl s MET 37 CO 0.12 -0.81 -0.15 0.08 -2.03 0.00 0.00 175.02 172.24 1htl s VAL 38 N -3.39 1.18 -0.05 5.16 1.01 -1.24 -0.49 120.40 122.58 1htl s VAL 38 Ca 0.20 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.60 1htl s VAL 38 Cb -0.03 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.36 1htl s VAL 38 CO 0.11 0.34 -0.15 -0.63 0.00 0.00 0.00 175.10 174.77 1htl s ILE 39 N -0.22 1.32 0.15 2.22 1.01 0.02 -1.37 121.20 124.32 1htl s ILE 39 Ca 0.03 -0.64 0.06 0.00 0.00 0.00 0.00 60.65 60.10 1htl s ILE 39 Cb -0.07 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 1htl s ILE 39 CO -0.00 0.39 -0.13 0.27 0.00 0.00 0.00 174.94 175.46 1htl s ILE 40 N 0.18 1.40 0.02 2.92 -4.36 0.09 -1.34 121.20 120.12 1htl s ILE 40 Ca -0.06 -1.94 -0.02 0.00 -0.26 0.00 0.00 60.65 58.36 1htl s ILE 40 Cb -0.12 -1.76 -0.02 0.00 1.25 0.00 0.00 42.46 41.82 1htl s ILE 40 CO 0.02 -0.55 0.02 0.42 0.24 0.00 0.00 174.94 175.10 1htl s THR 41 N -2.68 0.12 0.34 8.37 -4.23 -1.19 -1.31 115.64 115.07 1htl s THR 41 Ca 0.15 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 1htl s THR 41 Cb -0.02 -0.57 -0.00 0.00 1.34 0.00 0.00 72.50 73.25 1htl s THR 41 CO 0.03 -0.56 0.00 0.49 -0.54 0.00 0.00 174.62 174.04 1htl n PHE 42 N 1.23 0.78 0.09 3.99 3.01 -1.05 -0.61 117.46 124.91 1htl n PHE 42 Ca -0.22 -1.69 -0.06 0.00 1.01 0.00 0.00 57.45 56.49 1htl n PHE 42 Cb 0.56 -0.22 0.02 0.00 -0.01 0.00 0.00 39.48 39.83 1htl n PHE 42 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1htl h LYS 43 N 0.00 0.12 -0.65 -1.08 1.79 -1.91 -2.99 116.57 111.85 1htl h LYS 43 Ca -0.28 -0.12 0.19 0.00 -2.18 0.00 0.00 60.65 58.26 1htl h LYS 43 Cb 0.86 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.52 1htl h LYS 43 CO 0.47 0.87 0.56 0.66 -1.08 0.00 0.00 179.45 180.93 1htl h SER 44 N 0.07 0.00 0.00 0.86 4.64 -1.97 -3.44 113.55 113.70 1htl h SER 44 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1htl h SER 44 Cb 1.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1htl h SER 44 CO 0.12 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 1htl n GLY 45 N -1.60 1.60 3.72 -0.77 0.00 -1.13 -5.11 105.19 101.90 1htl n GLY 45 Ca 0.13 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1htl n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1htl s GLU 46 N -0.77 3.16 -0.17 1.61 2.02 -1.26 -4.95 118.70 118.34 1htl s GLU 46 Ca 0.00 -0.35 0.01 0.00 0.02 0.00 0.00 54.97 54.65 1htl s GLU 46 Cb 0.00 -2.91 0.01 0.00 0.10 0.00 0.00 34.13 31.33 1htl s GLU 46 CO 0.00 0.68 -0.17 0.99 0.02 0.00 0.00 175.26 176.78 1htl s THR 47 N -0.80 2.39 0.22 3.63 2.01 -1.26 -2.52 115.64 119.31 1htl s THR 47 Ca 0.12 -0.85 0.11 0.00 0.31 0.00 0.00 61.69 61.39 1htl s THR 47 Cb -0.12 -2.01 -0.05 0.00 0.01 0.00 0.00 72.50 70.34 1htl s THR 47 CO 0.03 0.52 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.91 1htl s PHE 48 N 1.08 2.17 0.13 4.92 0.08 -0.43 -3.65 117.98 122.28 1htl s PHE 48 Ca -0.00 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 56.69 1htl s PHE 48 Cb -0.14 -1.02 -0.04 0.00 -0.57 0.00 0.00 43.02 41.24 1htl s PHE 48 CO -0.06 0.54 -0.08 1.14 -0.10 0.00 0.00 175.22 176.66 1htl s GLN 49 N -3.07 0.96 -0.18 0.44 -2.07 -0.73 -0.73 119.66 114.28 1htl s GLN 49 Ca 0.23 -1.40 -0.05 0.00 -1.82 0.00 0.00 55.36 52.32 1htl s GLN 49 Cb -0.06 -0.41 -0.03 0.00 -1.09 0.00 0.00 33.01 31.43 1htl s GLN 49 CO 0.11 0.02 -0.01 0.08 -1.32 0.00 0.00 175.29 174.17 1htl s VAL 50 N -3.48 3.95 0.64 3.63 1.01 -0.47 -1.15 120.40 124.52 1htl s VAL 50 Ca 0.15 -0.32 -0.15 0.00 0.00 0.00 0.00 61.98 61.66 1htl s VAL 50 Cb 0.04 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 1htl s VAL 50 CO -0.02 0.45 1.08 -1.83 0.00 0.00 0.00 175.10 174.78 1htl s GLU 51 N 0.76 3.04 0.47 2.72 -1.05 -1.26 -3.69 118.70 119.69 1htl s GLU 51 Ca -0.00 1.24 -0.23 0.00 -0.15 0.00 0.00 54.97 55.83 1htl s GLU 51 Cb -0.14 -1.99 -0.07 0.00 -0.44 0.00 0.00 34.13 31.49 1htl s GLU 51 CO 0.02 -1.04 1.26 0.08 0.95 0.00 0.00 175.26 176.53 1htl s VAL 52 N -2.49 2.69 0.23 1.83 1.01 -1.26 -4.92 120.40 117.49 1htl s VAL 52 Ca 0.64 0.54 -0.30 0.00 0.00 0.00 0.00 61.98 62.86 1htl s VAL 52 Cb -0.17 -3.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.83 1htl s VAL 52 CO 0.41 0.02 1.03 -2.84 0.00 0.00 0.00 175.10 173.72 1htl s PRO 53 N -2.63 4.71 0.31 2.72 0.02 -1.26 -5.04 135.00 133.83 1htl s PRO 53 Ca 0.64 1.65 -0.10 0.00 0.02 0.00 0.00 61.00 63.21 1htl s PRO 53 Cb -0.34 -3.26 0.01 0.00 0.02 0.00 0.00 34.50 30.93 1htl s PRO 53 CO 0.42 0.28 0.54 0.20 -0.33 0.00 0.00 177.00 178.12 1htl s GLY 54 N -0.72 0.84 0.42 0.52 0.00 -1.26 -5.04 107.32 102.09 1htl s GLY 54 Ca 0.45 -1.07 0.23 0.00 0.00 0.00 0.00 44.72 44.32 1htl s GLY 54 CO 0.36 -0.69 1.68 1.48 0.00 0.00 0.00 173.10 175.92 1htl h SER 55 N 2.14 0.00 1.69 1.64 4.64 -2.02 0.06 113.55 121.71 1htl h SER 55 Ca -0.28 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.01 1htl h SER 55 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1htl h SER 55 CO 0.37 0.00 -0.13 0.06 -0.87 0.00 0.00 176.83 176.26 1htl h GLN 56 N 0.00 0.00 -5.91 4.77 -0.00 -1.99 -3.43 115.11 108.56 1htl h GLN 56 Ca 0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 58.65 58.04 1htl h GLN 56 Cb 0.31 0.00 -0.11 0.00 -0.00 0.00 0.00 27.48 27.68 1htl h GLN 56 CO 0.00 0.13 0.46 -1.01 -0.00 0.00 0.00 178.83 178.41 1htl s HIS 57 N -3.24 3.07 0.55 0.06 3.76 0.01 -5.01 115.29 114.48 1htl s HIS 57 Ca 0.05 0.55 -0.20 0.00 -0.15 0.00 0.00 55.06 55.30 1htl s HIS 57 Cb 0.06 -3.56 -0.06 0.00 1.11 0.00 0.00 32.58 30.13 1htl s HIS 57 CO 0.67 -0.83 1.11 -0.89 -0.85 0.00 0.00 174.74 173.95 1htl n ILE 58 N 5.95 3.57 -0.24 0.60 5.41 -1.26 -4.68 119.36 128.72 1htl n ILE 58 Ca 0.04 -0.50 0.32 0.00 1.00 0.00 0.00 62.75 63.61 1htl n ILE 58 Cb 0.48 -1.33 0.73 0.00 -0.71 0.00 0.00 39.64 38.82 1htl n ILE 58 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1htl h ASP 59 N 0.97 0.00 -0.53 4.38 3.58 -1.96 0.33 116.42 123.20 1htl h ASP 59 Ca -0.49 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 56.88 1htl h ASP 59 Cb 1.34 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.37 1htl h ASP 59 CO 0.54 0.00 0.01 0.77 -2.88 0.00 0.00 179.24 177.68 1htl h SER 60 N 0.00 0.91 1.23 2.28 4.64 -2.02 -2.13 113.55 118.46 1htl h SER 60 Ca 0.49 -0.30 -0.02 0.00 -0.47 0.00 0.00 61.79 61.48 1htl h SER 60 Cb 2.03 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 63.87 1htl h SER 60 CO -0.01 0.99 -0.11 -0.61 -0.87 0.00 0.00 176.83 176.23 1htl h GLN 61 N 0.81 0.00 0.53 4.77 4.15 -0.69 -2.92 115.11 121.76 1htl h GLN 61 Ca 0.15 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.55 1htl h GLN 61 Cb 0.52 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.21 1htl h GLN 61 CO 0.03 0.11 -0.27 -0.22 -1.93 0.00 0.00 178.83 176.54 1htl h LYS 62 N 0.00 -0.71 -0.41 1.69 1.63 -0.68 0.21 116.57 118.30 1htl h LYS 62 Ca -0.00 0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.82 1htl h LYS 62 Cb 0.75 0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.52 1htl h LYS 62 CO 0.01 -0.47 0.14 0.87 -3.45 0.00 0.00 179.45 176.55 1htl h LYS 63 N -0.74 0.59 -0.13 1.90 1.57 -1.45 -2.01 116.57 116.29 1htl h LYS 63 Ca -0.07 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.52 1htl h LYS 63 Cb 0.57 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1htl h LYS 63 CO 0.11 0.51 -0.40 0.00 -0.57 0.00 0.00 179.45 179.09 1htl h ALA 64 N 1.58 1.08 -0.57 3.86 0.00 -1.27 -2.45 119.26 121.48 1htl h ALA 64 Ca 0.14 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 1htl h ALA 64 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1htl h ALA 64 CO -0.01 0.59 0.01 0.82 0.00 0.00 0.00 179.25 180.66 1htl h ILE 65 N 0.25 1.26 -0.02 0.00 2.04 0.15 -2.73 117.51 118.46 1htl h ILE 65 Ca 0.02 -1.11 -0.12 0.00 1.00 0.00 0.00 64.86 64.65 1htl h ILE 65 Cb 0.82 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1htl h ILE 65 CO 0.06 0.40 -0.55 -0.33 0.00 0.00 0.00 178.15 177.74 1htl h GLU 66 N 0.89 0.07 -0.29 2.37 4.39 -1.36 -3.07 114.58 117.57 1htl h GLU 66 Ca 0.16 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.76 1htl h GLU 66 Cb 0.53 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1htl h GLU 66 CO 0.03 0.60 -0.05 -0.09 -1.16 0.00 0.00 179.01 178.33 1htl h ARG 67 N 0.05 0.55 -0.81 2.33 2.43 -1.33 -3.02 114.38 114.58 1htl h ARG 67 Ca -0.00 -0.20 0.07 0.00 -0.81 0.00 0.00 59.98 59.04 1htl h ARG 67 Cb 0.99 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.44 1htl h ARG 67 CO 0.08 0.74 0.48 1.98 -1.51 0.00 0.00 179.97 181.73 1htl h MET 68 N 0.32 0.82 0.00 0.20 4.05 -1.39 -0.52 114.93 118.41 1htl h MET 68 Ca 0.08 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.41 1htl h MET 68 Cb 0.53 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 1htl h MET 68 CO 0.03 0.54 -0.18 0.87 0.23 0.00 0.00 176.91 178.40 1htl h LYS 69 N 0.85 0.00 -0.08 0.39 1.57 -1.50 0.42 116.57 118.21 1htl h LYS 69 Ca 0.37 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.96 1htl h LYS 69 Cb 0.24 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.56 1htl h LYS 69 CO -0.20 0.18 -0.68 -0.44 -0.57 0.00 0.00 179.45 177.74 1htl h ASP 70 N 0.00 0.75 -0.37 0.86 3.32 -1.03 -1.05 116.42 118.90 1htl h ASP 70 Ca -0.00 -0.67 -0.05 0.00 0.02 0.00 0.00 57.03 56.32 1htl h ASP 70 Cb 0.40 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1htl h ASP 70 CO 0.02 1.31 0.03 0.74 -1.72 0.00 0.00 179.24 179.62 1htl h THR 71 N 0.25 1.25 -0.24 0.35 2.02 -0.56 -1.66 112.91 114.32 1htl h THR 71 Ca -0.06 -0.91 -0.08 0.00 0.77 0.00 0.00 66.41 66.12 1htl h THR 71 Cb 1.34 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 1htl h THR 71 CO 0.14 0.31 -0.22 -0.07 0.37 0.00 0.00 175.52 176.05 1htl h LEU 72 N 0.46 0.43 0.12 2.58 3.38 -0.94 0.49 115.31 121.83 1htl h LEU 72 Ca 0.11 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1htl h LEU 72 Cb 0.41 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1htl h LEU 72 CO 0.01 0.65 -0.06 -0.09 0.09 0.00 0.00 178.44 179.05 1htl h ARG 73 N 0.39 -0.15 0.00 1.13 2.43 -0.80 -2.18 114.38 115.19 1htl h ARG 73 Ca 0.06 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1htl h ARG 73 Cb 0.60 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1htl h ARG 73 CO 0.04 0.18 -0.14 0.97 -1.51 0.00 0.00 179.97 179.51 1htl h ILE 74 N -0.50 0.29 -0.22 1.20 6.09 -1.29 -2.73 117.51 120.36 1htl h ILE 74 Ca -0.02 -1.09 -0.17 0.00 -1.37 0.00 0.00 64.86 62.21 1htl h ILE 74 Cb 0.40 1.86 -0.00 0.00 0.47 0.00 0.00 36.82 39.55 1htl h ILE 74 CO 0.03 0.14 -0.57 0.74 -3.07 0.00 0.00 178.15 175.41 1htl h THR 75 N 0.00 1.30 0.62 2.19 2.02 -0.89 -1.45 112.91 116.70 1htl h THR 75 Ca -0.00 -1.80 -0.03 0.00 0.77 0.00 0.00 66.41 65.35 1htl h THR 75 Cb 0.85 1.75 0.01 0.00 -1.74 0.00 0.00 68.15 69.02 1htl h THR 75 CO 0.02 0.57 -0.30 0.22 0.37 0.00 0.00 175.52 176.40 1htl h TYR 76 N 0.52 -0.77 -0.77 3.16 3.20 -1.33 -0.21 116.97 120.76 1htl h TYR 76 Ca 0.01 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 61.98 1htl h TYR 76 Cb 1.14 0.25 -0.09 0.00 1.54 0.00 0.00 36.73 39.58 1htl h TYR 76 CO 0.06 -0.43 0.37 -0.07 -1.64 0.00 0.00 178.16 176.45 1htl h LEU 77 N -1.07 0.44 -0.18 2.82 3.38 -1.51 0.33 115.31 119.52 1htl h LEU 77 Ca -0.08 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1htl h LEU 77 Cb 0.68 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1htl h LEU 77 CO 0.14 0.21 0.00 0.35 0.09 0.00 0.00 178.44 179.23 1htl n THR 78 N -4.90 0.65 -2.74 0.22 -2.24 -0.55 -4.86 114.28 99.86 1htl n THR 78 Ca 0.14 0.09 -0.18 0.00 -2.27 0.00 0.00 64.05 61.84 1htl n THR 78 Cb 0.36 -0.85 0.02 0.00 -2.10 0.00 0.00 70.33 67.76 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 -1.82 -3.34 -2.38 -0.78 1.02 0.11 -4.95 120.64 108.50 1htl n GLU 79 Ca 0.04 0.75 -0.42 0.00 -0.02 0.00 0.00 57.16 57.51 1htl n GLU 79 Cb 0.27 -5.21 -0.03 0.00 -0.02 0.00 0.00 31.44 26.45 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 -3.00 3.77 -0.06 2.62 2.01 -0.17 -4.87 115.64 115.94 1htl s THR 80 Ca 0.19 1.36 -0.30 0.00 0.31 0.00 0.00 61.69 63.25 1htl s THR 80 Cb -0.08 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 1htl s THR 80 CO 0.23 0.16 1.40 -0.75 -0.69 0.00 0.00 174.62 174.97 1htl s LYS 81 N 0.48 4.26 0.01 4.92 2.20 -1.26 -4.27 119.74 126.07 1htl s LYS 81 Ca 0.57 1.91 -0.18 0.00 -0.36 0.00 0.00 55.97 57.90 1htl s LYS 81 Cb -0.31 -3.70 -0.06 0.00 -1.51 0.00 0.00 37.83 32.25 1htl s LYS 81 CO 0.32 -0.65 0.52 0.42 -0.36 0.00 0.00 175.35 175.60 1htl s ILE 82 N 2.99 4.92 -0.12 5.43 1.01 -0.69 -4.38 121.20 130.37 1htl s ILE 82 Ca 0.63 1.09 -0.07 0.00 0.00 0.00 0.00 60.65 62.30 1htl s ILE 82 Cb -0.29 -3.85 -0.02 0.00 0.01 0.00 0.00 42.46 38.31 1htl s ILE 82 CO 0.24 0.49 -0.13 -0.78 0.00 0.00 0.00 174.94 174.75 1htl h ASP 83 N 5.20 0.00 -5.02 3.58 3.58 -1.37 -0.76 116.42 121.63 1htl h ASP 83 Ca -0.48 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 56.84 1htl h ASP 83 Cb 1.21 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 42.06 1htl h ASP 83 CO 0.66 0.62 -0.50 -0.54 -2.88 0.00 0.00 179.24 176.61 1htl s LYS 84 N -2.00 0.52 -0.13 0.28 1.02 -1.20 -1.20 119.74 117.03 1htl s LYS 84 Ca -0.11 -0.52 -0.00 0.00 0.02 0.00 0.00 55.97 55.35 1htl s LYS 84 Cb 0.02 0.21 0.03 0.00 -0.52 0.00 0.00 37.83 37.56 1htl s LYS 84 CO 0.17 -0.13 -0.10 -0.51 -0.92 0.00 0.00 175.35 173.86 1htl s LEU 85 N -1.64 1.38 -0.17 3.17 1.43 -0.25 -1.59 118.68 121.02 1htl s LEU 85 Ca -0.12 -0.39 -0.26 0.00 -1.03 0.00 0.00 54.13 52.34 1htl s LEU 85 Cb -0.06 -0.96 -0.01 0.00 0.03 0.00 0.00 46.19 45.19 1htl s LEU 85 CO -0.01 -0.10 0.85 0.00 0.23 0.00 0.00 176.35 177.32 1htl s VAL 87 N 2.17 0.87 -0.59 0.00 -7.23 -0.04 -0.25 120.40 115.34 1htl s VAL 87 Ca 0.39 -1.40 -0.25 0.00 -1.81 0.00 0.00 61.98 58.91 1htl s VAL 87 Cb -0.17 -1.08 0.04 0.00 0.56 0.00 0.00 36.38 35.73 1htl s VAL 87 CO 0.13 -0.43 1.03 0.26 -0.31 0.00 0.00 175.10 175.78 1htl s TRP 88 N -1.86 2.69 -2.00 2.82 0.51 0.54 -0.50 118.94 121.14 1htl s TRP 88 Ca -0.01 0.01 0.21 0.00 -2.12 0.00 0.00 56.10 54.20 1htl s TRP 88 Cb -0.07 -4.25 1.24 0.00 -0.81 0.00 0.00 33.47 29.58 1htl s TRP 88 CO 0.01 -1.51 1.62 0.27 -0.51 0.00 0.00 176.95 176.83 1htl n ASN 89 N 7.89 0.00 -1.14 2.95 0.23 -0.91 -2.40 115.26 121.88 1htl n ASN 89 Ca 0.03 -0.65 0.04 0.00 -0.53 0.00 0.00 54.58 53.47 1htl n ASN 89 Cb 0.48 -0.00 0.21 0.00 -2.08 0.00 0.00 39.78 38.38 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 -1.00 3.24 -3.83 0.53 0.23 -1.26 -4.83 115.26 108.34 1htl n ASN 90 Ca 0.16 -2.40 -0.12 0.00 -0.53 0.00 0.00 54.58 51.69 1htl n ASN 90 Cb 0.07 -0.53 -0.10 0.00 -2.08 0.00 0.00 39.78 37.14 1htl n ASN 90 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1htl s LYS 91 N -1.85 0.48 -0.15 -3.83 1.02 -1.24 -5.10 119.74 109.07 1htl s LYS 91 Ca 0.28 -0.22 0.01 0.00 0.02 0.00 0.00 55.97 56.07 1htl s LYS 91 Cb 0.20 0.21 0.01 0.00 -0.52 0.00 0.00 37.83 37.73 1htl s LYS 91 CO 0.10 -0.11 -0.19 0.99 -0.92 0.00 0.00 175.35 175.22 1htl s THR 92 N -1.09 2.31 0.85 2.17 2.01 -1.26 -2.61 115.64 118.02 1htl s THR 92 Ca -0.12 -0.89 -0.12 0.00 0.31 0.00 0.00 61.69 60.88 1htl s THR 92 Cb -0.06 -1.95 0.10 0.00 0.01 0.00 0.00 72.50 70.60 1htl s THR 92 CO 0.02 0.53 1.11 -2.16 -0.69 0.00 0.00 174.62 173.43 1htl s PRO 93 N 0.92 1.65 0.26 4.92 0.04 -1.26 -5.07 135.00 136.46 1htl s PRO 93 Ca -0.04 0.57 -0.30 0.00 0.04 0.00 0.00 61.00 61.28 1htl s PRO 93 Cb -0.15 -1.87 -0.14 0.00 0.04 0.00 0.00 34.50 32.38 1htl s PRO 93 CO -0.03 -1.90 1.17 0.09 0.04 0.00 0.00 177.00 176.37 1htl n ASN 94 N -3.62 1.84 -4.68 6.66 3.02 -1.07 -4.58 115.26 112.83 1htl n ASN 94 Ca 0.07 1.17 -0.41 0.00 -0.03 0.00 0.00 54.58 55.38 1htl n ASN 94 Cb 0.57 -1.33 -0.05 0.00 -0.61 0.00 0.00 39.78 38.36 1htl n ASN 94 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1htl s SER 95 N -0.21 6.89 0.17 6.41 0.15 -1.01 -1.77 113.70 124.33 1htl s SER 95 Ca 0.64 1.08 -0.30 0.00 0.70 0.00 0.00 55.95 58.07 1htl s SER 95 Cb -0.70 -2.42 -0.08 0.00 -1.71 0.00 0.00 66.02 61.11 1htl s SER 95 CO 0.56 -0.30 1.27 -0.63 1.20 0.00 0.00 173.24 175.34 1htl s ILE 96 N 1.79 3.45 -0.06 6.45 1.01 -0.30 -0.34 121.20 133.19 1htl s ILE 96 Ca 0.35 1.16 0.01 0.00 0.00 0.00 0.00 60.65 62.17 1htl s ILE 96 Cb -0.17 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1htl s ILE 96 CO 0.13 0.16 -0.05 0.00 0.00 0.00 0.00 174.94 175.18 1htl n ALA 97 N 2.91 1.87 -2.65 9.38 0.00 0.66 -4.86 120.51 127.82 1htl n ALA 97 Ca 0.06 -0.27 -0.11 0.00 0.00 0.00 0.00 53.44 53.13 1htl n ALA 97 Cb 0.44 0.33 -0.08 0.00 0.00 0.00 0.00 19.45 20.14 1htl n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1htl s ALA 98 N -2.12 0.52 -0.12 0.00 0.00 -0.93 -4.97 121.76 114.13 1htl s ALA 98 Ca -0.08 -1.32 -0.26 0.00 0.00 0.00 0.00 51.96 50.31 1htl s ALA 98 Cb 0.02 1.23 0.06 0.00 0.00 0.00 0.00 23.12 24.44 1htl s ALA 98 CO 0.15 -0.71 0.63 -1.50 0.00 0.00 0.00 175.76 174.33 1htl s ILE 99 N -4.09 0.01 0.02 0.00 2.07 -1.26 -2.50 121.20 115.45 1htl s ILE 99 Ca 0.31 -0.05 0.01 0.00 -1.41 0.00 0.00 60.65 59.51 1htl s ILE 99 Cb 0.04 -0.92 -0.02 0.00 0.13 0.00 0.00 42.46 41.69 1htl s ILE 99 CO 0.10 -0.03 -0.05 -0.94 -1.91 0.00 0.00 174.94 172.12 1htl s SER 100 N -0.66 0.50 0.05 4.50 1.04 -0.62 -5.01 113.70 113.51 1htl s SER 100 Ca -0.07 -0.41 0.03 0.00 0.48 0.00 0.00 55.95 55.97 1htl s SER 100 Cb -0.02 0.04 -0.03 0.00 0.10 0.00 0.00 66.02 66.11 1htl s SER 100 CO 0.06 -0.18 -0.09 -0.04 0.98 0.00 0.00 173.24 173.97 1htl s MET 101 N -1.17 0.62 -0.01 4.02 1.00 -1.26 -1.02 119.30 121.47 1htl s MET 101 Ca -0.10 -0.86 -0.09 0.00 0.00 0.00 0.00 55.69 54.65 1htl s MET 101 Cb -0.08 -0.39 0.01 0.00 0.00 0.00 0.00 34.83 34.37 1htl s MET 101 CO -0.00 0.07 0.19 0.21 0.00 0.00 0.00 175.02 175.49 1htl s LYS 102 N -1.85 0.50 0.00 2.03 2.20 -1.26 -4.91 119.74 116.45 1htl s LYS 102 Ca -0.06 -0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.28 1htl s LYS 102 Cb -0.08 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 1htl s LYS 102 CO 0.00 -0.12 0.00 -1.71 -0.36 0.00 0.00 175.35 173.16