#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hde h SER 3 N 0.00 0.00 -3.95 1.61 0.87 -2.13 -3.46 113.55 106.49 2hde h SER 3 Ca 0.00 -0.59 -0.69 0.00 -1.23 0.00 0.00 61.79 59.29 2hde h SER 3 Cb 0.00 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 61.70 2hde h SER 3 CO 0.00 0.99 -0.80 -2.28 -0.53 0.00 0.00 176.83 174.22 2hde s HIS 4 N -2.12 2.65 -0.38 2.24 5.65 -1.26 -5.10 115.29 116.97 2hde s HIS 4 Ca -0.17 -0.36 -0.19 0.00 0.25 0.00 0.00 55.06 54.59 2hde s HIS 4 Cb 0.00 -1.65 0.01 0.00 -1.18 0.00 0.00 32.58 29.76 2hde s HIS 4 CO 0.48 0.03 0.56 0.00 -0.65 0.00 0.00 174.74 175.16 2hde s MET 5 N -0.43 3.49 0.01 2.88 0.00 -1.26 -5.06 119.30 118.94 2hde s MET 5 Ca 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 55.69 55.48 2hde s MET 5 Cb -0.12 -3.86 -0.04 0.00 0.00 0.00 0.00 34.83 30.81 2hde s MET 5 CO 0.02 -0.77 0.18 1.03 0.00 0.00 0.00 175.02 175.48 2hde s ARG 6 N 2.52 3.40 0.42 3.16 0.52 -1.26 -5.11 118.95 122.60 2hde s ARG 6 Ca 0.20 -0.37 0.08 0.00 -0.52 0.00 0.00 55.73 55.12 2hde s ARG 6 Cb -0.15 -3.06 0.01 0.00 0.52 0.00 0.00 34.95 32.27 2hde s ARG 6 CO 0.15 0.66 0.57 0.08 0.02 0.00 0.00 175.30 176.78 2hde s VAL 7 N -1.36 3.01 -0.36 3.52 1.01 -1.26 -5.10 120.40 119.85 2hde s VAL 7 Ca 0.29 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.28 2hde s VAL 7 Cb -0.13 -3.01 0.12 0.00 0.00 0.00 0.00 36.38 33.37 2hde s VAL 7 CO 0.21 -0.00 0.17 0.42 0.00 0.00 0.00 175.10 175.89 2hde s THR 8 N -2.36 0.87 -0.29 3.92 -4.23 -1.26 -5.06 115.64 107.22 2hde s THR 8 Ca 0.55 -1.82 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 2hde s THR 8 Cb -0.10 -1.63 0.19 0.00 1.34 0.00 0.00 72.50 72.29 2hde s THR 8 CO 0.33 -0.81 0.58 0.00 -0.54 0.00 0.00 174.62 174.18 2hde s GLN 9 N 1.11 0.55 -0.40 3.99 -2.07 -1.26 -5.13 119.66 116.45 2hde s GLN 9 Ca 0.14 0.86 -0.14 0.00 -1.82 0.00 0.00 55.36 54.40 2hde s GLN 9 Cb -0.21 0.42 0.02 0.00 -1.09 0.00 0.00 33.01 32.15 2hde s GLN 9 CO -0.12 -0.73 0.28 -1.21 -1.32 0.00 0.00 175.29 172.19 2hde s GLU 10 N 2.83 2.96 -0.17 9.60 0.41 -1.26 -4.91 118.70 128.17 2hde s GLU 10 Ca 0.18 -1.02 0.15 0.00 -0.41 0.00 0.00 54.97 53.88 2hde s GLU 10 Cb -0.14 -3.93 0.35 0.00 -1.78 0.00 0.00 34.13 28.63 2hde s GLU 10 CO -0.22 -0.73 1.19 -1.91 -0.49 0.00 0.00 175.26 173.10 2hde n GLU 11 N 5.13 1.46 -2.63 1.61 4.07 -1.26 -4.71 120.64 124.32 2hde n GLU 11 Ca -0.11 -2.90 -0.12 0.00 -0.06 0.00 0.00 57.16 53.96 2hde n GLU 11 Cb 0.47 -1.56 0.03 0.00 -0.06 0.00 0.00 31.44 30.31 2hde n GLU 11 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 2hde n ILE 12 N -1.28 1.29 -3.76 6.31 5.41 -1.26 -5.00 119.36 121.07 2hde n ILE 12 Ca 0.18 -3.41 -0.29 0.00 1.00 0.00 0.00 62.75 60.22 2hde n ILE 12 Cb 0.67 0.32 -0.13 0.00 -0.71 0.00 0.00 39.64 39.79 2hde n ILE 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2hde s LYS 13 N -3.25 1.48 -0.49 0.38 -0.14 -1.26 -5.07 119.74 111.40 2hde s LYS 13 Ca 0.31 -2.22 -0.18 0.00 -1.36 0.00 0.00 55.97 52.52 2hde s LYS 13 Cb 0.44 -2.56 0.05 0.00 -1.68 0.00 0.00 37.83 34.08 2hde s LYS 13 CO -0.01 -1.17 0.56 -1.59 -0.76 0.00 0.00 175.35 172.39 2hde s LYS 14 N 0.09 3.10 -0.11 1.68 0.00 -1.26 -5.05 119.74 118.20 2hde s LYS 14 Ca 0.19 -0.91 0.02 0.00 0.00 0.00 0.00 55.97 55.27 2hde s LYS 14 Cb -0.22 -4.08 -0.01 0.00 0.00 0.00 0.00 37.83 33.53 2hde s LYS 14 CO -0.02 -1.13 -0.19 -1.21 0.00 0.00 0.00 175.35 172.80 2hde s GLU 15 N 2.42 3.15 -0.61 1.78 2.02 -1.26 -5.07 118.70 121.12 2hde s GLU 15 Ca 0.13 -0.79 -0.27 0.00 0.02 0.00 0.00 54.97 54.06 2hde s GLU 15 Cb -0.19 -2.43 -0.01 0.00 0.10 0.00 0.00 34.13 31.59 2hde s GLU 15 CO 0.12 0.22 1.75 -1.25 0.02 0.00 0.00 175.26 176.12 2hde s PRO 16 N 0.28 2.79 -0.15 0.39 0.04 -1.26 -4.78 135.00 132.31 2hde s PRO 16 Ca -0.14 0.54 0.18 0.00 0.04 0.00 0.00 61.00 61.62 2hde s PRO 16 Cb -0.17 -4.33 0.45 0.00 0.04 0.00 0.00 34.50 30.49 2hde s PRO 16 CO 0.07 -2.55 1.18 0.39 0.04 0.00 0.00 177.00 176.13 2hde n GLU 17 N 9.13 1.33 -1.46 4.56 4.71 -1.26 -5.09 120.64 132.55 2hde n GLU 17 Ca 0.18 -2.99 -0.30 0.00 -0.01 0.00 0.00 57.16 54.04 2hde n GLU 17 Cb 0.51 -1.11 0.09 0.00 -1.01 0.00 0.00 31.44 29.91 2hde n GLU 17 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2hde s LYS 18 N -2.20 2.20 0.07 3.49 1.02 -1.26 -4.93 119.74 118.13 2hde s LYS 18 Ca 0.36 0.83 -0.36 0.00 0.02 0.00 0.00 55.97 56.82 2hde s LYS 18 Cb 0.37 -1.92 -0.16 0.00 -0.52 0.00 0.00 37.83 35.61 2hde s LYS 18 CO -0.09 -1.59 1.43 -2.30 -0.92 0.00 0.00 175.35 171.89 2hde n PRO 19 N -3.44 1.37 -3.54 -1.68 -0.02 -1.26 -4.96 135.00 121.47 2hde n PRO 19 Ca 0.07 0.49 -0.36 0.00 -2.02 0.00 0.00 63.50 61.69 2hde n PRO 19 Cb 0.55 -2.17 -0.06 0.00 -0.02 0.00 0.00 33.50 31.80 2hde n PRO 19 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2hde s ILE 20 N 0.85 5.07 -0.35 4.25 1.01 -1.26 -5.04 121.20 125.72 2hde s ILE 20 Ca 0.84 0.57 -0.29 0.00 0.00 0.00 0.00 60.65 61.78 2hde s ILE 20 Cb -0.90 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 37.91 2hde s ILE 20 CO 0.46 0.36 1.22 -0.62 0.00 0.00 0.00 174.94 176.37 2hde s ASP 21 N -1.58 6.70 0.57 3.58 2.15 -1.26 -4.88 116.67 121.94 2hde s ASP 21 Ca 0.31 0.98 0.40 0.00 0.43 0.00 0.00 52.55 54.68 2hde s ASP 21 Cb -0.15 -2.54 1.52 0.00 -0.30 0.00 0.00 42.92 41.45 2hde s ASP 21 CO 0.17 -1.10 1.62 0.03 -0.17 0.00 0.00 175.17 175.72 2hde h ARG 22 N 9.12 0.00 0.00 4.34 -0.00 -1.97 1.05 114.38 126.92 2hde h ARG 22 Ca -0.24 0.00 -0.15 0.00 -0.50 0.00 0.00 59.98 59.09 2hde h ARG 22 Cb 1.08 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 31.03 2hde h ARG 22 CO 1.06 0.00 -1.18 0.39 0.00 0.00 0.00 179.97 180.24 2hde n GLU 23 N -3.87 0.52 -0.65 0.04 1.02 -1.26 -4.40 120.64 112.03 2hde n GLU 23 Ca 0.32 0.43 -0.12 0.00 -0.02 0.00 0.00 57.16 57.78 2hde n GLU 23 Cb 1.59 -1.62 0.11 0.00 -0.02 0.00 0.00 31.44 31.50 2hde n GLU 23 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2hde n LYS 24 N -4.47 1.77 -1.40 3.49 5.02 -0.74 -4.95 118.16 116.88 2hde n LYS 24 Ca -0.24 -1.63 -0.30 0.00 -2.02 0.00 0.00 58.31 54.12 2hde n LYS 24 Cb 0.54 -1.66 0.10 0.00 -0.02 0.00 0.00 35.03 34.00 2hde n LYS 24 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2hde s THR 25 N -1.80 3.11 -0.23 -0.18 -1.32 0.36 -4.63 115.64 110.96 2hde s THR 25 Ca 0.31 0.36 -0.07 0.00 -1.21 0.00 0.00 61.69 61.08 2hde s THR 25 Cb 0.26 -2.98 -0.03 0.00 -1.51 0.00 0.00 72.50 68.23 2hde s THR 25 CO 0.06 -0.47 0.05 -0.94 -2.21 0.00 0.00 174.62 171.11 2hde s SER 26 N -3.66 5.12 0.61 8.08 1.04 -1.26 -5.02 113.70 118.61 2hde s SER 26 Ca 0.61 -0.17 -0.16 0.00 0.48 0.00 0.00 55.95 56.71 2hde s SER 26 Cb -0.16 -1.90 -0.03 0.00 0.10 0.00 0.00 66.02 64.03 2hde s SER 26 CO 0.55 0.02 1.09 -2.16 0.98 0.00 0.00 173.24 173.73 2hde s PRO 27 N 1.30 3.12 0.06 4.02 0.04 -1.26 -4.60 135.00 137.69 2hde s PRO 27 Ca 0.05 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.47 2hde s PRO 27 Cb -0.15 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2hde s PRO 27 CO 0.03 -0.99 -0.05 -0.48 0.04 0.00 0.00 177.00 175.55 2hde s LEU 28 N -4.46 2.43 -0.22 -3.56 0.05 0.15 -4.91 118.68 108.15 2hde s LEU 28 Ca 0.67 -0.86 -0.16 0.00 0.05 0.00 0.00 54.13 53.83 2hde s LEU 28 Cb -0.20 0.04 -0.04 0.00 -2.05 0.00 0.00 46.19 43.95 2hde s LEU 28 CO 0.36 -0.46 0.43 -0.22 -0.55 0.00 0.00 176.35 175.91 2hde s LEU 29 N -2.55 4.12 0.12 1.48 2.96 -1.26 -1.66 118.68 121.89 2hde s LEU 29 Ca 0.03 0.49 0.04 0.00 -0.22 0.00 0.00 54.13 54.47 2hde s LEU 29 Cb 0.02 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 2hde s LEU 29 CO -0.05 -0.14 -0.09 -1.48 -1.32 0.00 0.00 176.35 173.26 2hde s LEU 30 N 1.64 2.49 -0.01 -0.68 0.05 -1.09 -4.59 118.68 116.50 2hde s LEU 30 Ca 0.19 -0.95 -0.17 0.00 0.05 0.00 0.00 54.13 53.25 2hde s LEU 30 Cb -0.15 -0.28 -0.06 0.00 -2.05 0.00 0.00 46.19 43.65 2hde s LEU 30 CO 0.09 -0.34 0.46 -0.13 -0.55 0.00 0.00 176.35 175.88 2hde s ARG 31 N -3.48 4.08 0.01 1.48 0.52 -1.26 -2.92 118.95 117.38 2hde s ARG 31 Ca 0.12 0.50 0.01 0.00 -0.52 0.00 0.00 55.73 55.85 2hde s ARG 31 Cb 0.01 -3.27 -0.01 0.00 0.52 0.00 0.00 34.95 32.20 2hde s ARG 31 CO -0.01 0.56 -0.04 0.14 0.02 0.00 0.00 175.30 175.98 2hde s VAL 32 N -0.71 0.27 -0.29 3.52 -7.23 -0.77 -2.91 120.40 112.28 2hde s VAL 32 Ca 0.26 -0.36 -0.00 0.00 -1.81 0.00 0.00 61.98 60.07 2hde s VAL 32 Cb -0.17 -0.27 0.05 0.00 0.56 0.00 0.00 36.38 36.55 2hde s VAL 32 CO 0.14 -0.06 -0.04 -0.36 -0.31 0.00 0.00 175.10 174.47 2hde s PHE 33 N -0.42 3.27 -0.21 2.82 0.40 -0.85 0.29 117.98 123.28 2hde s PHE 33 Ca -0.02 -2.04 -0.06 0.00 -0.60 0.00 0.00 56.93 54.20 2hde s PHE 33 Cb -0.03 -2.06 -0.03 0.00 0.51 0.00 0.00 43.02 41.41 2hde s PHE 33 CO -0.00 -0.83 0.02 0.95 0.70 0.00 0.00 175.22 176.05 2hde s THR 34 N 1.20 4.07 0.19 0.64 -4.23 -0.87 -0.15 115.64 116.48 2hde s THR 34 Ca -0.06 -0.27 0.05 0.00 -1.18 0.00 0.00 61.69 60.22 2hde s THR 34 Cb -0.20 -2.85 -0.04 0.00 1.34 0.00 0.00 72.50 70.75 2hde s THR 34 CO -0.03 0.41 0.21 0.28 -0.54 0.00 0.00 174.62 174.95 2hde s THR 35 N 1.07 4.74 -0.35 3.99 -1.32 -1.09 -4.74 115.64 117.95 2hde s THR 35 Ca 0.03 -1.06 0.09 0.00 -1.21 0.00 0.00 61.69 59.53 2hde s THR 35 Cb -0.14 -3.47 0.73 0.00 -1.51 0.00 0.00 72.50 68.10 2hde s THR 35 CO 0.02 -0.18 1.83 -3.20 -2.21 0.00 0.00 174.62 170.87 2hde n ASN 36 N -0.69 4.66 0.00 8.08 4.05 -1.25 -2.08 115.26 128.03 2hde n ASN 36 Ca -0.08 -3.27 0.00 0.00 0.45 0.00 0.00 54.58 51.68 2hde n ASN 36 Cb 0.55 -0.76 0.00 0.00 1.23 0.00 0.00 39.78 40.80 2hde n ASN 36 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 2hde n ASN 37 N -0.30 0.00 -3.54 1.20 5.15 0.19 -4.40 115.26 113.56 2hde n ASN 37 Ca 0.44 -1.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.21 2hde n ASN 37 Cb 1.44 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 40.74 2hde n ASN 37 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2hde n GLY 38 N 0.00 -0.72 3.26 8.20 0.00 0.30 -4.68 105.19 111.55 2hde n GLY 38 Ca 0.00 0.34 -0.44 0.00 0.00 0.00 0.00 46.02 45.92 2hde n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hde s ARG 39 N -5.46 3.45 -0.03 1.61 0.52 -1.26 -4.85 118.95 112.93 2hde s ARG 39 Ca 0.25 -2.66 0.13 0.00 -0.52 0.00 0.00 55.73 52.93 2hde s ARG 39 Cb -0.06 -4.26 0.42 0.00 0.52 0.00 0.00 34.95 31.57 2hde s ARG 39 CO 0.79 -1.26 1.32 -2.39 0.02 0.00 0.00 175.30 173.79 2hde n HIS 40 N 3.55 0.76 -0.01 -0.53 1.44 -1.26 -4.58 115.22 114.58 2hde n HIS 40 Ca 0.15 -0.33 -0.02 0.00 -2.01 0.00 0.00 57.72 55.50 2hde n HIS 40 Cb 0.43 -0.08 -0.01 0.00 0.12 0.00 0.00 29.99 30.45 2hde n HIS 40 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2hde h HIS 41 N 2.60 -0.24 -2.49 -1.40 3.86 -2.02 -3.48 115.15 111.99 2hde h HIS 41 Ca 0.00 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 2hde h HIS 41 Cb 0.79 0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.37 2hde h HIS 41 CO 0.39 -0.07 0.16 2.89 0.86 0.00 0.00 177.93 182.15 2hde n ARG 42 N -3.06 0.58 0.19 2.45 1.85 -1.26 -4.99 116.66 112.42 2hde n ARG 42 Ca -0.01 -1.14 0.03 0.00 -1.00 0.00 0.00 57.85 55.73 2hde n ARG 42 Cb 0.05 1.43 0.36 0.00 -1.05 0.00 0.00 32.46 33.26 2hde n ARG 42 CO 0.00 0.00 0.00 0.52 -0.01 0.00 0.00 177.63 178.14 2hde h MET 43 N 0.00 0.00 -0.82 2.89 2.86 -1.76 -2.88 114.93 115.22 2hde h MET 43 Ca -0.17 0.00 0.24 0.00 -2.06 0.00 0.00 59.70 57.70 2hde h MET 43 Cb 0.65 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.27 2hde h MET 43 CO 0.22 0.38 0.73 0.22 1.06 0.00 0.00 176.91 179.52 2hde h ASP 44 N 0.00 0.00 0.38 1.22 1.82 -1.79 0.62 116.42 118.66 2hde h ASP 44 Ca -0.00 0.00 -0.21 0.00 -0.39 0.00 0.00 57.03 56.42 2hde h ASP 44 Cb 0.70 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.71 2hde h ASP 44 CO 0.05 0.00 -0.89 -0.33 -1.61 0.00 0.00 179.24 176.46 2hde h GLU 45 N 0.00 0.36 -3.05 0.28 4.39 -1.87 -3.45 114.58 111.24 2hde h GLU 45 Ca 0.39 -0.38 -0.18 0.00 0.34 0.00 0.00 59.36 59.53 2hde h GLU 45 Cb 1.85 0.10 -0.28 0.00 -0.10 0.00 0.00 28.75 30.32 2hde h GLU 45 CO -0.00 1.05 -0.45 -0.59 -1.16 0.00 0.00 179.01 177.85 2hde s PHE 46 N -3.31 -0.32 0.38 4.33 -0.12 0.21 -5.13 117.98 114.02 2hde s PHE 46 Ca -0.05 0.76 0.04 0.00 -0.05 0.00 0.00 56.93 57.62 2hde s PHE 46 Cb 0.09 0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.52 2hde s PHE 46 CO 0.85 -0.20 0.11 -1.54 -0.05 0.00 0.00 175.22 174.40 2hde s SER 47 N 0.82 2.58 -0.50 1.98 1.04 -1.25 -4.60 113.70 113.77 2hde s SER 47 Ca -0.06 -1.59 -0.23 0.00 0.48 0.00 0.00 55.95 54.56 2hde s SER 47 Cb -0.07 0.35 0.04 0.00 0.10 0.00 0.00 66.02 66.43 2hde s SER 47 CO -0.05 -0.84 0.83 -0.60 0.98 0.00 0.00 173.24 173.56 2hde s ARG 48 N -3.78 3.34 0.00 4.02 3.00 -1.26 -3.61 118.95 120.66 2hde s ARG 48 Ca 0.28 -0.27 0.00 0.00 -1.00 0.00 0.00 55.73 54.74 2hde s ARG 48 Cb 0.04 -4.01 0.00 0.00 0.00 0.00 0.00 34.95 30.99 2hde s ARG 48 CO 0.15 -1.29 0.00 0.41 0.00 0.00 0.00 175.30 174.57 2hde n GLY 49 N 5.06 1.06 0.10 8.12 0.00 -1.26 -4.98 105.19 113.29 2hde n GLY 49 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 2hde n GLY 49 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2hde h ASN 50 N 0.00 0.00 -2.43 1.61 -0.73 -2.00 -3.48 115.58 108.56 2hde h ASN 50 Ca 0.00 0.00 0.15 0.00 1.87 0.00 0.00 56.30 58.32 2hde h ASN 50 Cb 0.00 0.00 -0.31 0.00 0.27 0.00 0.00 38.32 38.28 2hde h ASN 50 CO 0.00 0.73 0.72 0.54 -0.37 0.00 0.00 177.43 179.05 2hde s VAL 51 N -2.82 0.00 -1.00 2.57 0.11 -1.26 -5.01 120.40 112.98 2hde s VAL 51 Ca -0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2hde s VAL 51 Cb 0.09 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 2hde s VAL 51 CO 0.80 0.00 1.00 -0.81 -3.33 0.00 0.00 175.10 172.76 2hde n PRO 52 N 2.09 0.00 -0.65 1.54 -0.04 -1.26 -0.63 135.00 136.04 2hde n PRO 52 Ca -0.12 0.50 0.08 0.00 -0.04 0.00 0.00 63.50 63.92 2hde n PRO 52 Cb 0.57 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.87 2hde n PRO 52 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2hde n SER 53 N -1.50 4.82 -0.10 3.54 3.41 -1.26 -4.52 113.62 118.01 2hde n SER 53 Ca 0.00 -2.73 -0.15 0.00 -0.26 0.00 0.00 58.87 55.74 2hde n SER 53 Cb 0.00 -0.59 -0.06 0.00 -0.26 0.00 0.00 64.21 63.31 2hde n SER 53 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2hde n SER 54 N 0.53 1.90 -4.52 4.04 2.88 0.20 -4.78 113.62 113.87 2hde n SER 54 Ca 0.25 0.43 -0.32 0.00 -1.33 0.00 0.00 58.87 57.89 2hde n SER 54 Cb 0.98 -0.83 -0.12 0.00 -0.75 0.00 0.00 64.21 63.49 2hde n SER 54 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2hde s GLU 55 N -2.55 2.46 0.33 -1.46 1.03 -1.26 -2.06 118.70 115.19 2hde s GLU 55 Ca -0.27 -0.74 0.03 0.00 0.03 0.00 0.00 54.97 54.02 2hde s GLU 55 Cb 0.06 -2.40 -0.06 0.00 -0.80 0.00 0.00 34.13 30.94 2hde s GLU 55 CO 0.41 0.61 0.07 -0.48 -1.33 0.00 0.00 175.26 174.54 2hde s LEU 56 N -1.06 2.07 -0.08 1.83 2.34 0.14 -4.95 118.68 118.98 2hde s LEU 56 Ca 0.14 -1.42 0.02 0.00 0.06 0.00 0.00 54.13 52.92 2hde s LEU 56 Cb -0.11 -0.29 -0.02 0.00 -0.56 0.00 0.00 46.19 45.21 2hde s LEU 56 CO 0.03 -0.67 -0.11 -1.10 -1.06 0.00 0.00 176.35 173.44 2hde s GLN 57 N -3.89 2.83 -0.03 1.48 -1.52 -1.26 -1.84 119.66 115.42 2hde s GLN 57 Ca 0.35 -0.64 0.01 0.00 -1.95 0.00 0.00 55.36 53.13 2hde s GLN 57 Cb 0.08 -2.53 0.02 0.00 -0.22 0.00 0.00 33.01 30.36 2hde s GLN 57 CO 0.15 0.53 -0.05 0.96 -0.25 0.00 0.00 175.29 176.63 2hde s ILE 58 N -0.46 0.50 -1.17 1.08 -4.36 -1.15 -4.87 121.20 110.77 2hde s ILE 58 Ca 0.06 -0.14 -0.12 0.00 -0.26 0.00 0.00 60.65 60.19 2hde s ILE 58 Cb -0.12 -0.51 0.21 0.00 1.25 0.00 0.00 42.46 43.28 2hde s ILE 58 CO 0.02 0.20 1.31 -0.31 0.24 0.00 0.00 174.94 176.40 2hde s TYR 59 N 0.69 3.76 0.38 1.37 1.51 -1.26 -2.67 117.35 121.14 2hde s TYR 59 Ca -0.09 -2.31 0.08 0.00 -1.01 0.00 0.00 57.07 53.74 2hde s TYR 59 Cb -0.12 -4.15 -0.04 0.00 -0.11 0.00 0.00 41.96 37.55 2hde s TYR 59 CO 0.00 -1.24 0.25 -0.08 -1.11 0.00 0.00 175.55 173.36 2hde s THR 60 N 0.62 2.81 -0.16 -0.71 -1.32 -0.66 -4.58 115.64 111.64 2hde s THR 60 Ca 0.38 -1.54 0.00 0.00 -1.21 0.00 0.00 61.69 59.32 2hde s THR 60 Cb -0.05 -3.02 -0.00 0.00 -1.51 0.00 0.00 72.50 67.92 2hde s THR 60 CO -0.03 -0.08 -0.15 -1.66 -2.21 0.00 0.00 174.62 170.49 2hde s TRP 61 N -2.46 2.78 0.26 9.09 -2.14 -1.26 0.29 118.94 125.49 2hde s TRP 61 Ca 0.42 -1.04 0.19 0.00 2.66 0.00 0.00 56.10 58.33 2hde s TRP 61 Cb -0.02 -1.89 0.87 0.00 -3.10 0.00 0.00 33.47 29.33 2hde s TRP 61 CO 0.25 -0.48 0.91 -0.12 -2.66 0.00 0.00 176.95 174.85 2hde n MET 62 N 4.07 -0.02 -0.94 3.25 0.00 -1.26 0.31 117.12 122.53 2hde n MET 62 Ca -0.19 0.73 -0.18 0.00 -0.00 0.00 0.00 57.70 58.06 2hde n MET 62 Cb 0.52 -1.44 0.14 0.00 0.00 0.00 0.00 33.22 32.43 2hde n MET 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2hde n ASP 63 N -3.86 3.58 -4.84 6.12 8.00 -1.26 -0.75 116.55 123.55 2hde n ASP 63 Ca 0.23 -3.23 -0.38 0.00 0.71 0.00 0.00 54.79 52.13 2hde n ASP 63 Cb 0.91 -0.76 -0.06 0.00 -0.02 0.00 0.00 41.12 41.19 2hde n ASP 63 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hde s ALA 64 N -2.53 3.70 0.41 2.24 0.00 0.93 -4.67 121.76 121.83 2hde s ALA 64 Ca 0.44 -0.22 -0.22 0.00 0.00 0.00 0.00 51.96 51.95 2hde s ALA 64 Cb 0.37 -2.39 -0.10 0.00 0.00 0.00 0.00 23.12 21.00 2hde s ALA 64 CO 0.08 0.49 0.98 0.95 0.00 0.00 0.00 175.76 178.26 2hde s THR 65 N -1.12 4.13 0.54 0.00 -4.23 -1.26 -0.66 115.64 113.04 2hde s THR 65 Ca 0.25 1.46 0.44 0.00 -1.18 0.00 0.00 61.69 62.67 2hde s THR 65 Cb -0.16 -3.67 0.66 0.00 1.34 0.00 0.00 72.50 70.66 2hde s THR 65 CO 0.14 -0.16 1.65 -0.07 -0.54 0.00 0.00 174.62 175.65 2hde h LEU 66 N 2.20 0.03 0.31 4.79 3.38 0.10 0.37 115.31 126.49 2hde h LEU 66 Ca -0.49 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 2hde h LEU 66 Cb 1.20 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2hde h LEU 66 CO 0.62 -0.02 -0.15 0.50 0.09 0.00 0.00 178.44 179.48 2hde h LYS 67 N 0.01 -0.40 -0.63 1.13 3.64 -1.76 -1.30 116.57 117.26 2hde h LYS 67 Ca 0.81 0.03 0.16 0.00 -1.27 0.00 0.00 60.65 60.38 2hde h LYS 67 Cb 3.18 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 35.06 2hde h LYS 67 CO -0.05 -0.26 0.44 0.93 -2.27 0.00 0.00 179.45 178.24 2hde h GLU 68 N -0.42 0.15 0.00 1.90 5.08 -0.59 0.57 114.58 121.26 2hde h GLU 68 Ca -0.04 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2hde h GLU 68 Cb 0.32 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2hde h GLU 68 CO 0.07 0.10 -0.29 -0.07 -1.00 0.00 0.00 179.01 177.81 2hde h LEU 69 N 0.15 0.00 -0.85 1.33 -0.00 -1.20 -2.24 115.31 112.51 2hde h LEU 69 Ca 0.30 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 58.06 2hde h LEU 69 Cb 0.99 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.64 2hde h LEU 69 CO -0.04 0.29 -0.46 0.74 -0.00 0.00 0.00 178.44 178.97 2hde h THR 70 N 0.00 1.33 0.01 0.22 2.02 0.12 -2.65 112.91 113.96 2hde h THR 70 Ca -0.00 -1.64 -0.06 0.00 0.77 0.00 0.00 66.41 65.48 2hde h THR 70 Cb 0.98 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 69.13 2hde h THR 70 CO 0.04 0.49 -0.29 0.77 0.37 0.00 0.00 175.52 176.89 2hde h SER 71 N 0.22 0.02 -0.75 4.18 4.64 -1.35 -2.95 113.55 117.56 2hde h SER 71 Ca 0.01 -0.90 0.17 0.00 -0.47 0.00 0.00 61.79 60.60 2hde h SER 71 Cb 0.90 -0.01 -0.11 0.00 -0.31 0.00 0.00 62.40 62.87 2hde h SER 71 CO 0.07 1.12 0.17 -0.07 -0.87 0.00 0.00 176.83 177.25 2hde h LEU 72 N -0.97 -0.02 -0.48 5.97 3.38 -1.45 0.36 115.31 122.10 2hde h LEU 72 Ca -0.08 0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2hde h LEU 72 Cb 1.09 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 2hde h LEU 72 CO -0.04 -0.06 0.04 0.58 0.09 0.00 0.00 178.44 179.05 2hde h VAL 73 N 0.25 1.26 -0.63 1.22 2.07 -1.60 -2.73 116.25 116.07 2hde h VAL 73 Ca 0.43 -1.00 0.03 0.00 0.82 0.00 0.00 66.70 66.99 2hde h VAL 73 Cb 0.75 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 2hde h VAL 73 CO -0.54 0.35 0.38 0.11 0.02 0.00 0.00 177.57 177.90 2hde h LYS 74 N 0.69 0.73 0.00 1.57 6.56 -0.41 0.78 116.57 126.48 2hde h LYS 74 Ca 0.14 -0.04 -0.03 0.00 -1.06 0.00 0.00 60.65 59.66 2hde h LYS 74 Cb 0.45 -0.16 -0.00 0.00 -0.57 0.00 0.00 32.23 31.94 2hde h LYS 74 CO 0.02 0.48 -0.12 1.49 -2.06 0.00 0.00 179.45 179.26 2hde h GLU 75 N 0.75 0.00 -0.06 3.15 4.81 -0.30 -2.23 114.58 120.70 2hde h GLU 75 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2hde h GLU 75 Cb 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2hde h GLU 75 CO -0.11 0.12 0.00 0.28 -0.73 0.00 0.00 179.01 178.57 2hde n VAL 76 N -4.03 0.07 -3.35 0.32 0.31 -0.55 -4.86 118.33 106.24 2hde n VAL 76 Ca -0.02 -0.53 -0.12 0.00 -0.01 0.00 0.00 64.34 63.65 2hde n VAL 76 Cb 0.21 1.30 -0.08 0.00 -0.91 0.00 0.00 33.84 34.36 2hde n VAL 76 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2hde s TYR 77 N -1.41 -0.76 0.26 3.52 5.04 0.26 -4.97 117.35 119.29 2hde s TYR 77 Ca 0.21 0.23 0.24 0.00 -2.44 0.00 0.00 57.07 55.31 2hde s TYR 77 Cb 0.15 -0.24 1.09 0.00 0.35 0.00 0.00 41.96 43.30 2hde s TYR 77 CO 0.22 -0.91 1.91 -1.00 -1.34 0.00 0.00 175.55 174.43 2hde h PRO 78 N 8.21 0.00 0.00 4.97 0.13 -1.84 -2.85 132.00 140.62 2hde h PRO 78 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2hde h PRO 78 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2hde h PRO 78 CO 0.29 0.21 0.00 -1.91 -0.23 0.00 0.00 178.00 176.36 2hde n GLU 79 N -3.54 0.05 -0.05 0.86 4.07 -1.26 -2.19 120.64 118.59 2hde n GLU 79 Ca -0.01 0.44 -0.02 0.00 -0.06 0.00 0.00 57.16 57.51 2hde n GLU 79 Cb 0.36 -1.64 -0.11 0.00 -0.06 0.00 0.00 31.44 30.00 2hde n GLU 79 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2hde n ALA 80 N -1.59 1.93 0.27 4.31 0.00 -1.08 -4.47 120.51 119.89 2hde n ALA 80 Ca 0.01 -0.72 0.16 0.00 0.00 0.00 0.00 53.44 52.89 2hde n ALA 80 Cb 0.09 -0.18 0.79 0.00 0.00 0.00 0.00 19.45 20.16 2hde n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hde h ARG 81 N 0.00 0.00 -6.69 0.00 3.08 -1.46 -3.43 114.38 105.89 2hde h ARG 81 Ca -0.25 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.23 2hde h ARG 81 Cb 1.47 0.00 0.09 0.00 0.08 0.00 0.00 29.97 31.61 2hde h ARG 81 CO 0.01 0.00 0.70 1.63 -1.07 0.00 0.00 179.97 181.25 2hde n LYS 82 N -3.11 2.30 -2.11 0.04 5.02 -1.25 -4.91 118.16 114.13 2hde n LYS 82 Ca 0.01 0.82 -0.41 0.00 -2.02 0.00 0.00 58.31 56.70 2hde n LYS 82 Cb 0.45 -2.51 -0.02 0.00 -0.02 0.00 0.00 35.03 32.92 2hde n LYS 82 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2hde s LYS 83 N -0.63 4.34 0.00 1.97 2.20 -1.26 -2.86 119.74 123.50 2hde s LYS 83 Ca 0.65 2.20 0.00 0.00 -0.36 0.00 0.00 55.97 58.46 2hde s LYS 83 Cb -0.58 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 32.63 2hde s LYS 83 CO 0.51 -0.26 0.00 0.41 -0.36 0.00 0.00 175.35 175.65 2hde n GLY 84 N 1.53 0.70 3.66 5.54 0.00 -1.25 -4.87 105.19 110.50 2hde n GLY 84 Ca 0.03 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2hde n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hde s THR 85 N -2.00 4.75 -0.39 2.61 2.01 -1.13 -4.32 115.64 117.17 2hde s THR 85 Ca 0.00 1.89 -0.14 0.00 0.31 0.00 0.00 61.69 63.75 2hde s THR 85 Cb 0.00 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.27 2hde s THR 85 CO 0.00 -0.10 0.27 -2.28 -0.69 0.00 0.00 174.62 171.82 2hde s HIS 86 N 2.81 3.24 -0.07 4.92 2.46 -0.35 -2.36 115.29 125.94 2hde s HIS 86 Ca 0.42 -0.55 0.04 0.00 0.47 0.00 0.00 55.06 55.44 2hde s HIS 86 Cb -0.16 -2.55 -0.01 0.00 -0.13 0.00 0.00 32.58 29.73 2hde s HIS 86 CO 0.09 -0.55 -0.20 -0.59 -2.47 0.00 0.00 174.74 171.02 2hde s PHE 87 N 1.67 2.58 -0.20 3.88 -0.12 -0.94 0.43 117.98 125.27 2hde s PHE 87 Ca 0.05 -0.60 -0.05 0.00 -0.05 0.00 0.00 56.93 56.28 2hde s PHE 87 Cb -0.19 -1.66 -0.02 0.00 -0.63 0.00 0.00 43.02 40.52 2hde s PHE 87 CO 0.10 -0.14 -0.01 -0.80 -0.05 0.00 0.00 175.22 174.32 2hde s ASN 88 N -0.16 4.74 -0.04 1.98 -0.87 0.81 -0.51 114.94 120.87 2hde s ASN 88 Ca -0.02 -0.23 -0.25 0.00 -1.57 0.00 0.00 52.86 50.78 2hde s ASN 88 Cb -0.14 -1.81 -0.04 0.00 -0.02 0.00 0.00 41.25 39.25 2hde s ASN 88 CO 0.04 0.05 0.76 -0.36 -2.57 0.00 0.00 177.10 175.01 2hde s PHE 89 N 1.08 3.61 -0.05 2.20 0.40 0.17 -0.97 117.98 124.41 2hde s PHE 89 Ca 0.02 1.35 -0.11 0.00 -0.60 0.00 0.00 56.93 57.59 2hde s PHE 89 Cb -0.14 -2.86 0.02 0.00 0.51 0.00 0.00 43.02 40.54 2hde s PHE 89 CO 0.01 0.09 0.27 0.00 0.70 0.00 0.00 175.22 176.29 2hde s ALA 90 N 0.77 -0.67 -0.27 5.36 0.00 -0.97 -0.85 121.76 125.13 2hde s ALA 90 Ca 0.40 0.46 -0.17 0.00 0.00 0.00 0.00 51.96 52.65 2hde s ALA 90 Cb -0.19 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 2hde s ALA 90 CO 0.20 -0.20 0.48 0.42 0.00 0.00 0.00 175.76 176.67 2hde s ILE 91 N -0.69 5.09 0.16 0.00 1.09 0.11 0.25 121.20 127.21 2hde s ILE 91 Ca -0.08 0.77 0.03 0.00 -1.10 0.00 0.00 60.65 60.27 2hde s ILE 91 Cb -0.04 -3.80 -0.05 0.00 -1.06 0.00 0.00 42.46 37.51 2hde s ILE 91 CO 0.02 0.09 -0.05 0.68 -0.10 0.00 0.00 174.94 175.58 2hde s VAL 92 N 2.25 0.93 -0.18 2.92 -7.23 -1.00 -2.34 120.40 115.75 2hde s VAL 92 Ca 0.19 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.36 2hde s VAL 92 Cb -0.16 -1.98 0.03 0.00 0.56 0.00 0.00 36.38 34.84 2hde s VAL 92 CO 0.10 -0.63 -0.13 0.72 -0.31 0.00 0.00 175.10 174.85 2hde s PHE 93 N -3.48 2.40 -0.40 2.82 -0.71 -1.26 -4.46 117.98 112.89 2hde s PHE 93 Ca 0.20 -1.48 -0.29 0.00 -1.04 0.00 0.00 56.93 54.32 2hde s PHE 93 Cb 0.04 -1.67 0.01 0.00 -1.21 0.00 0.00 43.02 40.19 2hde s PHE 93 CO 0.02 -0.73 1.42 0.99 -1.34 0.00 0.00 175.22 175.58 2hde s THR 94 N 1.41 3.90 0.01 -4.49 2.01 -1.26 -4.44 115.64 112.77 2hde s THR 94 Ca 0.02 0.93 0.00 0.00 0.31 0.00 0.00 61.69 62.95 2hde s THR 94 Cb -0.15 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 68.19 2hde s THR 94 CO -0.10 -0.72 0.00 -0.67 -0.69 0.00 0.00 174.62 172.44 2hde n ASP 95 N 8.79 -0.06 -4.22 3.53 -0.08 -1.26 -4.96 116.55 118.29 2hde n ASP 95 Ca 0.17 0.02 -0.13 0.00 -1.51 0.00 0.00 54.79 53.34 2hde n ASP 95 Cb 0.48 0.40 -0.10 0.00 2.34 0.00 0.00 41.12 44.23 2hde n ASP 95 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2hde s VAL 96 N -2.00 0.73 0.14 5.18 0.11 -1.26 -5.05 120.40 118.25 2hde s VAL 96 Ca 0.00 -1.97 0.03 0.00 -2.93 0.00 0.00 61.98 57.11 2hde s VAL 96 Cb 0.00 -1.96 -0.18 0.00 -1.53 0.00 0.00 36.38 32.71 2hde s VAL 96 CO 0.00 -0.63 1.32 0.07 -3.33 0.00 0.00 175.10 172.54 2hde h LYS 97 N 2.79 0.13 -5.03 1.54 -0.00 -1.96 -3.39 116.57 110.65 2hde h LYS 97 Ca -0.36 -0.17 -0.68 0.00 -0.00 0.00 0.00 60.65 59.43 2hde h LYS 97 Cb 1.19 0.06 -0.18 0.00 -0.00 0.00 0.00 32.23 33.30 2hde h LYS 97 CO 0.63 0.99 0.03 1.03 -0.00 0.00 0.00 179.45 182.13 2hde s ARG 98 N -2.98 3.15 0.00 0.07 1.81 -1.26 -4.32 118.95 115.41 2hde s ARG 98 Ca -0.02 -0.79 0.00 0.00 -1.72 0.00 0.00 55.73 53.21 2hde s ARG 98 Cb 0.10 -4.06 0.00 0.00 -0.45 0.00 0.00 34.95 30.54 2hde s ARG 98 CO 0.83 -1.14 0.00 -0.35 -0.68 0.00 0.00 175.30 173.96 2hde n PRO 99 N 6.11 0.00 -3.08 3.54 -0.04 -1.26 -4.94 135.00 135.33 2hde n PRO 99 Ca -0.06 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.19 2hde n PRO 99 Cb 0.46 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.96 2hde n PRO 99 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hde n GLY 100 N 4.51 -0.46 0.32 0.55 0.00 -1.26 -4.90 105.19 103.95 2hde n GLY 100 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2hde n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2hde n TYR 101 N -4.54 0.00 -2.24 1.61 4.01 -1.26 -4.99 117.16 109.75 2hde n TYR 101 Ca -0.09 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.70 2hde n TYR 101 Cb 0.60 0.03 0.06 0.00 -0.31 0.00 0.00 39.34 39.72 2hde n TYR 101 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 2hde n ARG 102 N -1.41 0.35 -3.77 -0.72 1.85 -1.26 -5.05 116.66 106.65 2hde n ARG 102 Ca 0.00 -2.19 -0.36 0.00 -1.00 0.00 0.00 57.85 54.30 2hde n ARG 102 Cb 0.00 -0.40 -0.13 0.00 -1.05 0.00 0.00 32.46 30.88 2hde n ARG 102 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2hde s VAL 103 N -0.72 4.17 0.24 8.89 0.11 -1.26 -4.78 120.40 127.07 2hde s VAL 103 Ca 0.32 -0.27 -0.20 0.00 -2.93 0.00 0.00 61.98 58.90 2hde s VAL 103 Cb 0.35 -2.97 0.03 0.00 -1.53 0.00 0.00 36.38 32.26 2hde s VAL 103 CO -0.13 0.32 0.65 -0.54 -3.33 0.00 0.00 175.10 172.07 2hde s LYS 104 N 1.59 1.62 0.08 1.54 1.02 -0.99 -4.86 119.74 119.74 2hde s LYS 104 Ca 0.06 -0.90 -0.07 0.00 0.02 0.00 0.00 55.97 55.08 2hde s LYS 104 Cb -0.15 0.58 -0.05 0.00 -0.52 0.00 0.00 37.83 37.69 2hde s LYS 104 CO 0.03 -0.72 0.35 -2.00 -0.92 0.00 0.00 175.35 172.08 2hde s GLU 105 N -3.89 3.65 -0.01 1.68 -6.30 -1.26 -0.72 118.70 111.85 2hde s GLU 105 Ca 0.10 -0.01 0.06 0.00 -2.50 0.00 0.00 54.97 52.62 2hde s GLU 105 Cb -0.04 -2.96 -0.10 0.00 0.00 0.00 0.00 34.13 31.03 2hde s GLU 105 CO 0.02 0.55 0.14 0.44 0.02 0.00 0.00 175.26 176.43 2hde n ILE 106 N 0.63 0.00 0.00 -3.70 -6.64 -0.03 -4.95 119.36 104.68 2hde n ILE 106 Ca -0.07 -0.15 0.00 0.00 -1.77 0.00 0.00 62.75 60.77 2hde n ILE 106 Cb 0.52 0.37 0.00 0.00 -1.44 0.00 0.00 39.64 39.09 2hde n ILE 106 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2hde n GLY 107 N 2.12 2.03 3.17 3.28 0.00 -1.18 -5.00 105.19 109.61 2hde n GLY 107 Ca -0.01 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.14 2hde n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hde s SER 108 N 0.00 2.20 0.00 1.61 0.01 -1.26 0.46 113.70 116.72 2hde s SER 108 Ca 0.00 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.91 2hde s SER 108 Cb 0.00 -0.40 0.00 0.00 0.21 0.00 0.00 66.02 65.83 2hde s SER 108 CO 0.00 0.20 0.00 0.35 0.41 0.00 0.00 173.24 174.20 2hde n THR 109 N 2.84 0.00 -3.91 1.44 -2.24 0.33 -4.61 114.28 108.14 2hde n THR 109 Ca -0.16 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.52 2hde n THR 109 Cb 0.53 -0.50 -0.07 0.00 -2.10 0.00 0.00 70.33 68.19 2hde n THR 109 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2hde s MET 110 N -1.63 1.05 -1.28 -0.78 -1.94 -1.24 -2.22 119.30 111.26 2hde s MET 110 Ca 0.00 -1.07 -0.18 0.00 -1.71 0.00 0.00 55.69 52.73 2hde s MET 110 Cb 0.00 0.37 0.08 0.00 2.01 0.00 0.00 34.83 37.29 2hde s MET 110 CO 0.00 -0.37 1.71 0.45 -0.01 0.00 0.00 175.02 176.79 2hde s SER 111 N -2.92 6.84 0.00 3.03 0.15 -0.99 -3.44 113.70 116.37 2hde s SER 111 Ca 0.12 -2.44 0.00 0.00 0.70 0.00 0.00 55.95 54.34 2hde s SER 111 Cb 0.04 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2hde s SER 111 CO -0.04 -1.16 0.00 0.61 1.20 0.00 0.00 173.24 173.85 2hde n GLY 112 N 5.39 1.01 3.02 9.45 0.00 -1.26 -3.93 105.19 118.86 2hde n GLY 112 Ca 0.47 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.21 2hde n GLY 112 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hde s ARG 113 N -0.46 2.05 -0.68 1.61 3.52 -1.22 -5.06 118.95 118.71 2hde s ARG 113 Ca 0.00 -0.49 -0.26 0.00 -0.13 0.00 0.00 55.73 54.86 2hde s ARG 113 Cb 0.00 -1.83 0.04 0.00 -1.56 0.00 0.00 34.95 31.60 2hde s ARG 113 CO 0.00 -0.13 1.14 0.21 -0.81 0.00 0.00 175.30 175.71 2hde s LYS 114 N 1.21 3.23 0.00 5.12 2.36 -1.26 -3.66 119.74 126.73 2hde s LYS 114 Ca -0.03 -0.35 0.00 0.00 -2.55 0.00 0.00 55.97 53.05 2hde s LYS 114 Cb -0.14 -4.16 0.00 0.00 -1.05 0.00 0.00 37.83 32.48 2hde s LYS 114 CO -0.04 -1.92 0.00 0.41 1.55 0.00 0.00 175.35 175.35 2hde n GLY 115 N 5.29 -0.55 0.11 5.54 0.00 -1.26 -4.97 105.19 109.35 2hde n GLY 115 Ca 0.02 -1.68 -0.16 0.00 0.00 0.00 0.00 46.02 44.20 2hde n GLY 115 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2hde h THR 116 N -0.14 1.00 0.00 2.61 2.02 -1.95 -3.33 112.91 113.12 2hde h THR 116 Ca 0.00 -2.70 0.00 0.00 0.77 0.00 0.00 66.41 64.48 2hde h THR 116 Cb 0.00 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 2hde h THR 116 CO 0.00 0.78 -0.12 0.44 0.37 0.00 0.00 175.52 176.99 2hde h ASP 117 N 0.06 0.00 -1.01 4.18 3.32 -1.95 -3.31 116.42 117.71 2hde h ASP 117 Ca -0.28 -0.01 0.23 0.00 0.02 0.00 0.00 57.03 56.99 2hde h ASP 117 Cb 2.02 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 41.46 2hde h ASP 117 CO 0.13 0.01 0.63 -0.78 -1.72 0.00 0.00 179.24 177.51 2hde h ASP 118 N 0.00 0.59 0.80 6.45 3.58 -1.84 0.87 116.42 126.87 2hde h ASP 118 Ca 0.00 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2hde h ASP 118 Cb 0.91 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.95 2hde h ASP 118 CO 0.00 0.15 0.00 -1.54 -2.88 0.00 0.00 179.24 174.97 2hde n SER 119 N -4.71 0.00 -4.88 2.28 3.41 -1.25 -2.68 113.62 105.80 2hde n SER 119 Ca 0.24 0.48 -0.30 0.00 -0.26 0.00 0.00 58.87 59.03 2hde n SER 119 Cb 0.74 -0.49 0.02 0.00 -0.26 0.00 0.00 64.21 64.22 2hde n SER 119 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2hde s MET 120 N -2.98 3.45 0.28 4.33 0.00 0.30 -4.82 119.30 119.86 2hde s MET 120 Ca 0.12 0.64 0.10 0.00 0.00 0.00 0.00 55.69 56.54 2hde s MET 120 Cb 0.15 -2.10 -0.04 0.00 0.00 0.00 0.00 34.83 32.84 2hde s MET 120 CO 0.43 -0.62 -0.01 0.95 0.00 0.00 0.00 175.02 175.77 2hde s THR 121 N -3.17 3.27 0.05 10.11 -4.23 -1.26 0.11 115.64 120.52 2hde s THR 121 Ca 0.55 -1.94 -0.24 0.00 -1.18 0.00 0.00 61.69 58.87 2hde s THR 121 Cb -0.11 -2.81 -0.17 0.00 1.34 0.00 0.00 72.50 70.75 2hde s THR 121 CO 0.53 -0.35 1.57 -0.07 -0.54 0.00 0.00 174.62 175.76 2hde h LEU 122 N 1.88 -0.06 -1.84 4.79 3.38 -0.99 -2.72 115.31 119.76 2hde h LEU 122 Ca -0.44 -0.15 0.10 0.00 0.09 0.00 0.00 57.88 57.49 2hde h LEU 122 Cb 1.25 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2hde h LEU 122 CO 0.61 0.11 0.50 0.06 0.09 0.00 0.00 178.44 179.82 2hde h GLN 123 N -0.23 0.00 0.00 1.13 -0.00 -1.18 0.85 115.11 115.67 2hde h GLN 123 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 2hde h GLN 123 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.69 2hde h GLN 123 CO 0.01 0.00 0.00 0.43 -0.00 0.00 0.00 178.83 179.27 2hde n SER 124 N -3.43 0.47 -1.43 0.06 7.64 -1.03 -3.12 113.62 112.78 2hde n SER 124 Ca 0.06 0.55 0.06 0.00 1.01 0.00 0.00 58.87 60.55 2hde n SER 124 Cb 0.65 -0.67 0.29 0.00 -1.01 0.00 0.00 64.21 63.47 2hde n SER 124 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hde n GLN 125 N -1.94 3.56 -0.91 1.43 1.13 0.29 -4.88 117.38 116.06 2hde n GLN 125 Ca 0.06 -2.27 0.00 0.00 -1.94 0.00 0.00 57.00 52.85 2hde n GLN 125 Cb 0.38 -1.93 0.00 0.00 0.11 0.00 0.00 30.24 28.80 2hde n GLN 125 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2hde n LYS 126 N 0.61 -0.86 -1.74 -1.09 5.02 -1.18 -4.98 118.16 113.94 2hde n LYS 126 Ca 0.20 0.21 -0.31 0.00 -2.02 0.00 0.00 58.31 56.39 2hde n LYS 126 Cb 0.85 -4.05 0.03 0.00 -0.02 0.00 0.00 35.03 31.84 2hde n LYS 126 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2hde s PHE 127 N -1.63 3.28 0.32 2.13 5.36 -1.24 -5.07 117.98 121.13 2hde s PHE 127 Ca 0.00 1.39 -0.08 0.00 -0.96 0.00 0.00 56.93 57.28 2hde s PHE 127 Cb 0.00 -2.84 0.01 0.00 -0.34 0.00 0.00 43.02 39.85 2hde s PHE 127 CO 0.00 -1.01 0.53 1.14 -1.46 0.00 0.00 175.22 174.41 2hde s GLN 128 N -4.96 1.86 -0.32 10.12 -2.07 -1.26 -4.58 119.66 118.46 2hde s GLN 128 Ca 0.58 -1.56 -0.28 0.00 -1.82 0.00 0.00 55.36 52.27 2hde s GLN 128 Cb -0.13 0.48 -0.02 0.00 -1.09 0.00 0.00 33.01 32.25 2hde s GLN 128 CO 0.52 -0.79 1.83 0.42 -1.32 0.00 0.00 175.29 175.95 2hde s ILE 129 N -3.21 3.44 0.00 3.63 1.01 -1.26 -2.00 121.20 122.81 2hde s ILE 129 Ca 0.26 0.45 0.00 0.00 0.00 0.00 0.00 60.65 61.36 2hde s ILE 129 Cb -0.01 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.86 2hde s ILE 129 CO 0.15 -0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.32 2hde n GLY 130 N 5.44 2.63 3.64 6.18 0.00 -1.26 -5.09 105.19 116.73 2hde n GLY 130 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 2hde n GLY 130 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2hde s ASP 131 N -1.62 2.62 -0.37 1.61 1.11 -0.85 -4.84 116.67 114.33 2hde s ASP 131 Ca 0.00 2.03 -0.13 0.00 0.18 0.00 0.00 52.55 54.64 2hde s ASP 131 Cb 0.00 -2.51 0.01 0.00 1.07 0.00 0.00 42.92 41.49 2hde s ASP 131 CO 0.00 -3.26 0.24 -0.31 1.18 0.00 0.00 175.17 173.02 2hde s TYR 132 N -2.63 3.23 -0.17 4.23 1.51 -1.26 -4.29 117.35 117.96 2hde s TYR 132 Ca 0.67 -0.65 -0.06 0.00 -1.01 0.00 0.00 57.07 56.02 2hde s TYR 132 Cb -0.23 -2.49 -0.04 0.00 -0.11 0.00 0.00 41.96 39.09 2hde s TYR 132 CO 0.59 -0.55 0.04 -0.51 -1.11 0.00 0.00 175.55 174.00 2hde s LEU 133 N 1.64 3.68 -0.32 -1.29 1.43 -1.15 -2.39 118.68 120.29 2hde s LEU 133 Ca 0.04 0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.15 2hde s LEU 133 Cb -0.19 -1.92 0.06 0.00 0.03 0.00 0.00 46.19 44.17 2hde s LEU 133 CO 0.08 0.18 0.03 -0.62 0.23 0.00 0.00 176.35 176.26 2hde s ASP 134 N 0.34 4.98 -0.19 2.29 -1.08 0.14 -2.00 116.67 121.15 2hde s ASP 134 Ca 0.01 -1.34 -0.16 0.00 -0.52 0.00 0.00 52.55 50.55 2hde s ASP 134 Cb -0.13 -1.74 -0.04 0.00 -1.46 0.00 0.00 42.92 39.55 2hde s ASP 134 CO 0.01 -0.30 0.38 -0.63 0.52 0.00 0.00 175.17 175.15 2hde s ILE 135 N 1.26 5.22 -0.50 4.11 1.01 0.79 -2.29 121.20 130.81 2hde s ILE 135 Ca -0.03 0.69 -0.15 0.00 0.00 0.00 0.00 60.65 61.16 2hde s ILE 135 Cb -0.20 -3.71 0.10 0.00 0.01 0.00 0.00 42.46 38.66 2hde s ILE 135 CO -0.01 0.28 0.43 0.00 0.00 0.00 0.00 174.94 175.64 2hde s ALA 136 N 1.12 3.57 -0.18 9.38 0.00 -0.14 -2.66 121.76 132.84 2hde s ALA 136 Ca 0.19 -2.31 -0.18 0.00 0.00 0.00 0.00 51.96 49.66 2hde s ALA 136 Cb -0.14 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 2hde s ALA 136 CO 0.07 -1.85 0.47 0.42 0.00 0.00 0.00 175.76 174.88 2hde s ILE 137 N 1.59 5.15 -0.27 0.00 1.01 -0.88 -0.14 121.20 127.66 2hde s ILE 137 Ca 0.04 0.88 0.01 0.00 0.00 0.00 0.00 60.65 61.58 2hde s ILE 137 Cb -0.27 -3.80 0.06 0.00 0.01 0.00 0.00 42.46 38.46 2hde s ILE 137 CO 0.04 0.23 -0.07 -0.89 0.00 0.00 0.00 174.94 174.25 2hde s THR 138 N 1.32 2.45 1.00 2.92 2.01 0.17 0.11 115.64 125.62 2hde s THR 138 Ca 0.23 -1.54 -0.17 0.00 0.31 0.00 0.00 61.69 60.52 2hde s THR 138 Cb -0.15 -2.42 0.26 0.00 0.01 0.00 0.00 72.50 70.19 2hde s THR 138 CO 0.09 -0.05 0.61 -2.65 -0.69 0.00 0.00 174.62 171.94 2hde n PRO 139 N 4.50 -3.87 -0.18 4.92 -0.02 -1.26 -1.22 135.00 137.87 2hde n PRO 139 Ca -0.14 -1.02 -0.02 0.00 -2.02 0.00 0.00 63.50 60.30 2hde n PRO 139 Cb 0.43 -1.29 0.05 0.00 -0.02 0.00 0.00 33.50 32.66 2hde n PRO 139 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2hde n PRO 140 N -4.56 1.42 -0.00 0.52 -0.04 -1.26 -3.13 135.00 127.94 2hde n PRO 140 Ca 0.10 -0.52 0.03 0.00 -0.04 0.00 0.00 63.50 63.06 2hde n PRO 140 Cb 0.41 -1.40 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 2hde n PRO 140 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2hde n ASN 141 N 0.17 2.82 -0.46 3.54 2.04 -1.26 -4.69 115.26 117.41 2hde n ASN 141 Ca 0.08 -0.16 0.01 0.00 -0.44 0.00 0.00 54.58 54.07 2hde n ASN 141 Cb 0.57 1.20 0.01 0.00 -2.53 0.00 0.00 39.78 39.03 2hde n ASN 141 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 2hde n ARG 142 N -1.56 0.12 -2.82 -3.83 3.00 -1.22 -5.05 116.66 105.30 2hde n ARG 142 Ca -0.01 -1.14 -0.43 0.00 -0.01 0.00 0.00 57.85 56.26 2hde n ARG 142 Cb 0.14 -0.59 -0.04 0.00 0.00 0.00 0.00 32.46 31.96 2hde n ARG 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2hde s ALA 143 N -0.26 3.21 1.05 7.54 0.00 -1.18 -4.95 121.76 127.16 2hde s ALA 143 Ca 0.03 -0.91 -0.13 0.00 0.00 0.00 0.00 51.96 50.95 2hde s ALA 143 Cb 0.03 -3.68 0.21 0.00 0.00 0.00 0.00 23.12 19.68 2hde s ALA 143 CO 0.00 -2.16 1.09 -1.25 0.00 0.00 0.00 175.76 173.44 2hde s PRO 144 N 3.85 0.02 1.12 0.00 0.04 -1.26 -5.03 135.00 133.73 2hde s PRO 144 Ca 0.36 0.46 -0.14 0.00 0.04 0.00 0.00 61.00 61.71 2hde s PRO 144 Cb -0.11 -1.70 0.25 0.00 0.04 0.00 0.00 34.50 32.99 2hde s PRO 144 CO 0.25 -2.99 1.07 -1.25 0.04 0.00 0.00 177.00 174.11 2hde s PRO 145 N -4.96 -0.52 0.13 0.56 0.04 -1.26 -4.94 135.00 124.06 2hde s PRO 145 Ca 0.66 0.44 -0.31 0.00 0.04 0.00 0.00 61.00 61.83 2hde s PRO 145 Cb -0.18 -1.63 -0.10 0.00 0.04 0.00 0.00 34.50 32.62 2hde s PRO 145 CO 0.58 -3.35 1.67 -1.25 0.04 0.00 0.00 177.00 174.70 2hde s PRO 146 N -4.92 4.18 0.27 0.56 0.04 -1.26 -4.99 135.00 128.89 2hde s PRO 146 Ca 0.67 2.43 -0.23 0.00 0.04 0.00 0.00 61.00 63.92 2hde s PRO 146 Cb -0.18 -3.40 -0.09 0.00 0.04 0.00 0.00 34.50 30.86 2hde s PRO 146 CO 0.59 -0.72 0.84 -1.12 0.04 0.00 0.00 177.00 176.63 2hde s SER 147 N 1.95 7.20 0.00 6.66 0.01 -1.26 -4.50 113.70 123.77 2hde s SER 147 Ca 0.74 1.63 0.00 0.00 1.31 0.00 0.00 55.95 59.63 2hde s SER 147 Cb -0.43 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.29 2hde s SER 147 CO 0.33 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.57 2hde n GLY 148 N 0.63 3.02 0.00 3.44 0.00 -1.26 -5.28 105.19 105.74 2hde n GLY 148 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2hde n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86