#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hde s SER 3 N 0.00 7.10 0.00 1.61 0.01 -1.26 -4.64 113.70 116.53 2hde s SER 3 Ca 0.00 1.35 0.00 0.00 1.31 0.00 0.00 55.95 58.61 2hde s SER 3 Cb 0.00 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.73 2hde s SER 3 CO 0.00 -0.40 0.00 1.41 0.41 0.00 0.00 173.24 174.66 2hde n HIS 4 N 5.00 -0.19 0.20 2.43 -0.00 -1.26 -4.99 115.22 116.40 2hde n HIS 4 Ca 0.06 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.63 2hde n HIS 4 Cb 0.49 0.04 -0.08 0.00 -0.00 0.00 0.00 29.99 30.44 2hde n HIS 4 CO 0.00 0.00 0.00 1.98 -0.00 0.00 0.00 176.34 178.32 2hde h MET 5 N 0.00 -0.42 -6.00 -0.41 4.05 -2.11 -3.43 114.93 106.60 2hde h MET 5 Ca 0.00 0.03 -0.57 0.00 -0.28 0.00 0.00 59.70 58.88 2hde h MET 5 Cb 0.00 0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.86 2hde h MET 5 CO 0.00 -0.26 -0.48 0.50 0.23 0.00 0.00 176.91 176.90 2hde s ARG 6 N -5.99 3.41 0.56 0.39 6.06 -1.26 -5.12 118.95 117.00 2hde s ARG 6 Ca -0.15 -0.55 0.06 0.00 -2.50 0.00 0.00 55.73 52.59 2hde s ARG 6 Cb 0.04 -2.98 0.05 0.00 0.06 0.00 0.00 34.95 32.13 2hde s ARG 6 CO 0.63 0.55 0.49 0.08 -2.50 0.00 0.00 175.30 174.56 2hde s VAL 7 N -1.65 1.70 -0.08 7.11 1.01 -1.26 -5.02 120.40 122.21 2hde s VAL 7 Ca 0.34 -1.39 0.01 0.00 0.00 0.00 0.00 61.98 60.94 2hde s VAL 7 Cb -0.12 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.18 2hde s VAL 7 CO 0.28 0.00 -0.08 0.28 0.00 0.00 0.00 175.10 175.58 2hde s THR 8 N -2.77 0.94 -2.12 3.92 -1.32 -1.26 -5.00 115.64 108.04 2hde s THR 8 Ca 0.39 -0.31 0.15 0.00 -1.21 0.00 0.00 61.69 60.71 2hde s THR 8 Cb -0.03 -0.93 0.37 0.00 -1.51 0.00 0.00 72.50 70.40 2hde s THR 8 CO 0.25 0.33 1.41 0.00 -2.21 0.00 0.00 174.62 174.40 2hde n GLN 9 N 4.37 1.61 -3.04 7.08 -0.00 -1.26 -4.82 117.38 121.32 2hde n GLN 9 Ca -0.18 -0.93 -0.42 0.00 -0.00 0.00 0.00 57.00 55.47 2hde n GLN 9 Cb 0.51 -1.30 -0.06 0.00 -0.00 0.00 0.00 30.24 29.39 2hde n GLN 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2hde s GLU 10 N -1.74 3.84 0.07 2.61 2.02 -1.26 -5.03 118.70 119.21 2hde s GLU 10 Ca 0.26 0.31 -0.10 0.00 0.02 0.00 0.00 54.97 55.46 2hde s GLU 10 Cb 0.13 -3.76 0.01 0.00 0.10 0.00 0.00 34.13 30.61 2hde s GLU 10 CO 0.19 -0.69 0.23 -1.83 0.02 0.00 0.00 175.26 173.19 2hde s GLU 11 N 2.81 0.82 -0.11 1.61 -1.05 -1.26 -5.16 118.70 116.37 2hde s GLU 11 Ca 0.28 -0.78 -0.00 0.00 -0.15 0.00 0.00 54.97 54.32 2hde s GLU 11 Cb -0.14 0.34 0.02 0.00 -0.44 0.00 0.00 34.13 33.91 2hde s GLU 11 CO 0.14 -0.26 -0.08 0.42 0.95 0.00 0.00 175.26 176.43 2hde s ILE 12 N -3.32 1.00 -0.12 1.83 1.01 -1.26 -5.12 121.20 115.23 2hde s ILE 12 Ca 0.01 -0.28 -0.09 0.00 0.00 0.00 0.00 60.65 60.29 2hde s ILE 12 Cb 0.02 -1.02 0.04 0.00 0.01 0.00 0.00 42.46 41.51 2hde s ILE 12 CO -0.08 0.36 0.30 -1.59 0.00 0.00 0.00 174.94 173.93 2hde s LYS 13 N 1.67 0.31 -0.28 2.79 -2.85 -1.26 -5.05 119.74 115.06 2hde s LYS 13 Ca 0.04 0.49 -0.03 0.00 -1.00 0.00 0.00 55.97 55.47 2hde s LYS 13 Cb -0.13 0.06 0.10 0.00 -2.06 0.00 0.00 37.83 35.80 2hde s LYS 13 CO -0.08 -0.09 0.12 0.21 0.10 0.00 0.00 175.35 175.61 2hde s LYS 14 N 0.63 0.30 -0.30 1.78 2.20 -1.26 -5.10 119.74 117.99 2hde s LYS 14 Ca -0.04 -0.61 -0.08 0.00 -0.36 0.00 0.00 55.97 54.88 2hde s LYS 14 Cb -0.05 -1.38 0.14 0.00 -1.51 0.00 0.00 37.83 35.03 2hde s LYS 14 CO -0.04 -0.98 0.63 -1.21 -0.36 0.00 0.00 175.35 173.39 2hde s GLU 15 N 2.00 0.57 -0.42 4.03 2.02 -1.26 -5.12 118.70 120.52 2hde s GLU 15 Ca 0.09 1.34 -0.28 0.00 0.02 0.00 0.00 54.97 56.13 2hde s GLU 15 Cb -0.16 0.78 -0.00 0.00 0.10 0.00 0.00 34.13 34.85 2hde s GLU 15 CO -0.32 -0.30 1.59 -1.25 0.02 0.00 0.00 175.26 175.00 2hde s PRO 16 N 2.88 3.37 -0.07 0.39 0.04 -1.26 -4.95 135.00 135.41 2hde s PRO 16 Ca 0.00 1.02 -0.30 0.00 0.04 0.00 0.00 61.00 61.77 2hde s PRO 16 Cb -0.13 -4.13 0.09 0.00 0.04 0.00 0.00 34.50 30.38 2hde s PRO 16 CO -0.19 -1.82 0.81 -2.00 0.04 0.00 0.00 177.00 173.84 2hde s GLU 17 N 5.45 0.89 0.42 4.56 2.56 -1.26 -5.18 118.70 126.14 2hde s GLU 17 Ca 0.67 0.10 0.03 0.00 0.00 0.00 0.00 54.97 55.78 2hde s GLU 17 Cb -0.16 0.42 0.00 0.00 2.00 0.00 0.00 34.13 36.39 2hde s GLU 17 CO 0.31 -0.30 0.61 0.15 -0.56 0.00 0.00 175.26 175.47 2hde s LYS 18 N -1.56 2.97 0.22 4.30 1.02 -1.26 -5.06 119.74 120.37 2hde s LYS 18 Ca -0.05 -0.79 -0.30 0.00 0.02 0.00 0.00 55.97 54.85 2hde s LYS 18 Cb -0.00 -2.66 -0.09 0.00 -0.52 0.00 0.00 37.83 34.56 2hde s LYS 18 CO 0.03 -0.23 1.39 -1.25 -0.92 0.00 0.00 175.35 174.38 2hde s PRO 19 N -4.44 4.31 -0.12 -1.68 0.04 -1.26 -5.02 135.00 126.84 2hde s PRO 19 Ca 0.49 2.20 -0.07 0.00 0.04 0.00 0.00 61.00 63.67 2hde s PRO 19 Cb -0.10 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 2hde s PRO 19 CO 0.35 -0.36 0.13 0.42 0.04 0.00 0.00 177.00 177.58 2hde s ILE 20 N 0.13 5.46 -0.25 0.56 1.01 -1.26 -5.05 121.20 121.80 2hde s ILE 20 Ca 0.59 0.19 -0.29 0.00 0.00 0.00 0.00 60.65 61.14 2hde s ILE 20 Cb -0.40 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 2hde s ILE 20 CO 0.40 0.62 1.60 -1.81 0.00 0.00 0.00 174.94 175.75 2hde s ASP 21 N -1.01 6.35 0.58 3.58 1.11 -1.26 -4.86 116.67 121.16 2hde s ASP 21 Ca 0.15 1.50 0.32 0.00 0.18 0.00 0.00 52.55 54.70 2hde s ASP 21 Cb -0.12 -2.53 1.36 0.00 1.07 0.00 0.00 42.92 42.70 2hde s ASP 21 CO 0.04 -1.30 1.67 0.03 1.18 0.00 0.00 175.17 176.78 2hde h ARG 22 N 10.83 0.00 0.00 8.23 -0.00 -1.97 0.72 114.38 132.20 2hde h ARG 22 Ca -0.33 0.00 -0.42 0.00 -0.50 0.00 0.00 59.98 58.74 2hde h ARG 22 Cb 1.15 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 31.05 2hde h ARG 22 CO 1.01 0.00 -2.29 -1.91 0.00 0.00 0.00 179.97 176.78 2hde n GLU 23 N -3.70 0.59 -0.74 0.04 4.07 -1.26 -4.45 120.64 115.19 2hde n GLU 23 Ca 0.20 0.32 -0.13 0.00 -0.06 0.00 0.00 57.16 57.49 2hde n GLU 23 Cb 1.20 -1.55 0.12 0.00 -0.06 0.00 0.00 31.44 31.15 2hde n GLU 23 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2hde n LYS 24 N -4.24 1.89 -1.64 5.31 4.76 -0.75 -4.95 118.16 118.54 2hde n LYS 24 Ca -0.50 -1.85 -0.30 0.00 -2.87 0.00 0.00 58.31 52.79 2hde n LYS 24 Cb 0.85 -1.74 0.08 0.00 -1.84 0.00 0.00 35.03 32.38 2hde n LYS 24 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2hde s THR 25 N -2.02 3.20 -0.17 -0.18 -1.32 0.24 -4.63 115.64 110.77 2hde s THR 25 Ca 0.35 0.39 -0.06 0.00 -1.21 0.00 0.00 61.69 61.16 2hde s THR 25 Cb 0.29 -3.20 -0.03 0.00 -1.51 0.00 0.00 72.50 68.05 2hde s THR 25 CO 0.07 -0.51 0.01 -0.55 -2.21 0.00 0.00 174.62 171.43 2hde s SER 26 N -4.01 5.19 0.38 8.08 0.15 -1.26 -5.04 113.70 117.19 2hde s SER 26 Ca 0.60 -0.04 -0.25 0.00 0.70 0.00 0.00 55.95 56.96 2hde s SER 26 Cb -0.14 -1.87 -0.09 0.00 -1.71 0.00 0.00 66.02 62.21 2hde s SER 26 CO 0.54 0.16 1.04 -2.16 1.20 0.00 0.00 173.24 174.02 2hde s PRO 27 N 0.43 4.27 0.09 5.44 0.04 -1.26 -4.48 135.00 139.52 2hde s PRO 27 Ca -0.00 1.52 0.04 0.00 0.04 0.00 0.00 61.00 62.60 2hde s PRO 27 Cb -0.13 -2.64 -0.03 0.00 0.04 0.00 0.00 34.50 31.74 2hde s PRO 27 CO 0.02 -0.05 -0.12 -0.48 0.04 0.00 0.00 177.00 176.40 2hde s LEU 28 N -2.45 2.34 -0.23 -3.56 0.05 0.13 -4.91 118.68 110.06 2hde s LEU 28 Ca 0.55 -0.71 -0.15 0.00 0.05 0.00 0.00 54.13 53.87 2hde s LEU 28 Cb -0.23 -0.41 -0.04 0.00 -2.05 0.00 0.00 46.19 43.46 2hde s LEU 28 CO 0.28 -0.17 0.38 -0.22 -0.55 0.00 0.00 176.35 176.08 2hde s LEU 29 N -2.09 4.11 0.21 1.48 2.96 -1.26 -1.58 118.68 122.51 2hde s LEU 29 Ca 0.02 0.42 0.04 0.00 -0.22 0.00 0.00 54.13 54.38 2hde s LEU 29 Cb -0.07 -2.46 -0.05 0.00 0.50 0.00 0.00 46.19 44.11 2hde s LEU 29 CO 0.01 -0.11 -0.02 -1.48 -1.32 0.00 0.00 176.35 173.43 2hde s LEU 30 N 1.56 2.25 -0.03 -0.68 0.05 -1.10 -4.56 118.68 116.17 2hde s LEU 30 Ca 0.17 -1.17 -0.15 0.00 0.05 0.00 0.00 54.13 53.03 2hde s LEU 30 Cb -0.15 -0.26 -0.05 0.00 -2.05 0.00 0.00 46.19 43.68 2hde s LEU 30 CO 0.08 -0.48 0.40 -0.60 -0.55 0.00 0.00 176.35 175.20 2hde s ARG 31 N -3.85 3.99 0.08 1.48 3.52 -1.26 -2.74 118.95 120.17 2hde s ARG 31 Ca 0.25 0.38 0.03 0.00 -0.13 0.00 0.00 55.73 56.27 2hde s ARG 31 Cb 0.05 -3.26 -0.03 0.00 -1.56 0.00 0.00 34.95 30.15 2hde s ARG 31 CO 0.06 0.59 -0.10 0.14 -0.81 0.00 0.00 175.30 175.19 2hde s VAL 32 N -0.75 0.87 -0.32 7.11 -7.23 0.15 -2.85 120.40 117.38 2hde s VAL 32 Ca 0.23 -1.48 0.02 0.00 -1.81 0.00 0.00 61.98 58.94 2hde s VAL 32 Cb -0.16 -1.16 0.10 0.00 0.56 0.00 0.00 36.38 35.71 2hde s VAL 32 CO 0.12 -0.48 0.06 -0.36 -0.31 0.00 0.00 175.10 174.13 2hde s PHE 33 N -2.08 2.79 -0.25 2.82 0.40 -0.38 0.27 117.98 121.55 2hde s PHE 33 Ca 0.01 -2.38 -0.08 0.00 -0.60 0.00 0.00 56.93 53.88 2hde s PHE 33 Cb -0.05 -2.32 -0.03 0.00 0.51 0.00 0.00 43.02 41.13 2hde s PHE 33 CO 0.00 -0.91 0.08 0.95 0.70 0.00 0.00 175.22 176.05 2hde s THR 34 N 1.24 4.45 0.31 0.64 -4.23 -0.82 0.24 115.64 117.47 2hde s THR 34 Ca 0.09 -0.12 0.07 0.00 -1.18 0.00 0.00 61.69 60.55 2hde s THR 34 Cb -0.18 -3.08 -0.03 0.00 1.34 0.00 0.00 72.50 70.54 2hde s THR 34 CO -0.15 0.33 0.28 0.28 -0.54 0.00 0.00 174.62 174.82 2hde s THR 35 N 1.59 3.94 -0.28 3.99 -1.32 -1.07 -4.67 115.64 117.82 2hde s THR 35 Ca 0.06 -1.33 0.12 0.00 -1.21 0.00 0.00 61.69 59.33 2hde s THR 35 Cb -0.15 -3.30 0.67 0.00 -1.51 0.00 0.00 72.50 68.21 2hde s THR 35 CO 0.04 -0.23 1.67 -3.20 -2.21 0.00 0.00 174.62 170.69 2hde n ASN 36 N -1.34 4.38 0.00 8.08 5.15 -1.25 -1.73 115.26 128.55 2hde n ASN 36 Ca -0.04 -3.23 0.00 0.00 -0.60 0.00 0.00 54.58 50.71 2hde n ASN 36 Cb 0.59 -0.68 0.00 0.00 -0.53 0.00 0.00 39.78 39.16 2hde n ASN 36 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2hde n ASN 37 N -0.32 0.17 -3.48 1.20 5.15 -0.71 -4.31 115.26 112.97 2hde n ASN 37 Ca 0.35 -0.51 -0.20 0.00 -0.60 0.00 0.00 54.58 53.61 2hde n ASN 37 Cb 1.22 0.55 0.06 0.00 -0.53 0.00 0.00 39.78 41.07 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 0.55 -0.75 3.14 8.20 0.00 0.27 -4.72 105.19 111.88 2hde n GLY 38 Ca 0.00 0.35 0.03 0.00 0.00 0.00 0.00 46.02 46.39 2hde n GLY 38 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hde s ARG 39 N -5.28 0.61 -0.02 1.61 3.52 -1.26 -4.88 118.95 113.24 2hde s ARG 39 Ca 0.25 0.08 0.11 0.00 -0.13 0.00 0.00 55.73 56.04 2hde s ARG 39 Cb -0.05 0.14 0.36 0.00 -1.56 0.00 0.00 34.95 33.84 2hde s ARG 39 CO 0.78 -0.97 1.26 -2.39 -0.81 0.00 0.00 175.30 173.17 2hde n HIS 40 N 4.76 0.63 -0.50 5.12 1.44 -1.26 -4.47 115.22 120.95 2hde n HIS 40 Ca 0.08 -0.28 0.41 0.00 -2.01 0.00 0.00 57.72 55.92 2hde n HIS 40 Cb 0.57 -0.06 0.70 0.00 0.12 0.00 0.00 29.99 31.31 2hde n HIS 40 CO 0.00 0.00 0.00 1.12 -2.81 0.00 0.00 176.34 174.65 2hde h HIS 41 N 2.22 0.41 -3.48 -1.40 -0.00 -1.99 -3.40 115.15 107.51 2hde h HIS 41 Ca 0.00 0.02 -0.40 0.00 -0.00 0.00 0.00 60.37 59.99 2hde h HIS 41 Cb 0.67 -0.10 -0.17 0.00 -0.00 0.00 0.00 27.41 27.81 2hde h HIS 41 CO 0.32 -0.20 -0.75 0.50 -0.00 0.00 0.00 177.93 177.80 2hde s ARG 42 N -5.20 1.06 0.26 5.12 6.06 -1.26 -5.04 118.95 119.95 2hde s ARG 42 Ca -0.07 -1.31 0.06 0.00 -2.50 0.00 0.00 55.73 51.92 2hde s ARG 42 Cb 0.30 -0.88 0.34 0.00 0.06 0.00 0.00 34.95 34.78 2hde s ARG 42 CO 0.84 0.16 1.62 0.52 -2.50 0.00 0.00 175.30 175.93 2hde h MET 43 N 3.31 0.19 -0.54 5.12 2.86 -1.89 -2.91 114.93 121.06 2hde h MET 43 Ca -0.39 -0.11 0.16 0.00 -2.06 0.00 0.00 59.70 57.29 2hde h MET 43 Cb 1.20 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.85 2hde h MET 43 CO 0.54 0.68 0.44 -0.44 1.06 0.00 0.00 176.91 179.19 2hde h ASP 44 N 0.14 0.00 -0.01 1.22 3.32 -1.96 0.30 116.42 119.43 2hde h ASP 44 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2hde h ASP 44 Cb 1.01 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.56 2hde h ASP 44 CO 0.08 0.00 0.02 -0.08 -1.72 0.00 0.00 179.24 177.55 2hde h GLU 45 N 0.00 0.00 -2.78 3.56 4.57 -1.85 -3.40 114.58 114.69 2hde h GLU 45 Ca 0.26 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.27 2hde h GLU 45 Cb 1.14 0.00 -0.30 0.00 -0.16 0.00 0.00 28.75 29.43 2hde h GLU 45 CO -0.00 0.00 -0.44 -0.59 -1.18 0.00 0.00 179.01 176.79 2hde s PHE 46 N -4.45 -0.52 0.48 0.92 -0.12 0.10 -4.94 117.98 109.45 2hde s PHE 46 Ca -0.05 1.12 0.02 0.00 -0.05 0.00 0.00 56.93 57.97 2hde s PHE 46 Cb 0.14 0.11 -0.02 0.00 -0.63 0.00 0.00 43.02 42.62 2hde s PHE 46 CO 0.49 -0.36 0.03 -1.12 -0.05 0.00 0.00 175.22 174.21 2hde s SER 47 N 2.06 3.84 -0.42 1.98 0.01 -1.26 -4.79 113.70 115.12 2hde s SER 47 Ca -0.03 -1.63 -0.02 0.00 1.31 0.00 0.00 55.95 55.58 2hde s SER 47 Cb -0.11 0.43 0.11 0.00 0.21 0.00 0.00 66.02 66.67 2hde s SER 47 CO -0.10 -0.83 0.20 -0.13 0.41 0.00 0.00 173.24 172.79 2hde s ARG 48 N -3.83 1.96 0.00 12.44 1.81 -1.26 -4.51 118.95 125.56 2hde s ARG 48 Ca 0.12 -1.91 0.00 0.00 -1.72 0.00 0.00 55.73 52.22 2hde s ARG 48 Cb 0.03 -3.53 0.00 0.00 -0.45 0.00 0.00 34.95 30.99 2hde s ARG 48 CO 0.07 -1.06 0.00 0.41 -0.68 0.00 0.00 175.30 174.03 2hde n GLY 49 N 4.41 1.33 0.09 -3.53 0.00 -1.26 -5.00 105.19 101.24 2hde n GLY 49 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2hde n GLY 49 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2hde n ASN 50 N 0.00 0.77 -3.65 1.61 0.23 -1.26 -5.00 115.26 107.96 2hde n ASN 50 Ca 0.00 0.29 -0.05 0.00 -0.53 0.00 0.00 54.58 54.30 2hde n ASN 50 Cb 0.00 0.13 -0.07 0.00 -2.08 0.00 0.00 39.78 37.76 2hde n ASN 50 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2hde s VAL 51 N -2.57 0.00 -2.00 3.53 0.11 -1.26 -5.01 120.40 113.20 2hde s VAL 51 Ca -0.08 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.04 2hde s VAL 51 Cb 0.07 -1.00 0.20 0.00 -1.53 0.00 0.00 36.38 34.13 2hde s VAL 51 CO 0.82 0.00 0.83 -0.81 -3.33 0.00 0.00 175.10 172.61 2hde n PRO 52 N 1.84 0.33 -0.63 1.54 -0.04 -1.26 -1.94 135.00 134.85 2hde n PRO 52 Ca -0.11 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.43 2hde n PRO 52 Cb 0.57 -1.34 0.33 0.00 -0.04 0.00 0.00 33.50 33.02 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 -0.84 4.72 0.00 3.54 3.41 -1.26 -4.64 113.62 118.55 2hde n SER 53 Ca 0.05 -2.70 0.00 0.00 -0.26 0.00 0.00 58.87 55.97 2hde n SER 53 Cb 0.02 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 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 0.00 -4.73 4.04 2.88 -0.82 -4.84 113.62 110.68 2hde n SER 54 Ca 0.24 0.12 -0.31 0.00 -1.33 0.00 0.00 58.87 57.60 2hde n SER 54 Cb 0.95 -0.39 -0.07 0.00 -0.75 0.00 0.00 64.21 63.95 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 -0.77 2.77 0.20 -1.46 -1.05 -1.26 -1.94 118.70 115.19 2hde s GLU 55 Ca 0.00 -0.71 0.03 0.00 -0.15 0.00 0.00 54.97 54.14 2hde s GLU 55 Cb 0.00 -2.66 -0.01 0.00 -0.44 0.00 0.00 34.13 31.01 2hde s GLU 55 CO 0.00 0.57 0.11 1.47 0.95 0.00 0.00 175.26 178.36 2hde n LEU 56 N 0.68 0.00 -4.22 1.83 -0.00 0.14 -4.94 117.00 110.49 2hde n LEU 56 Ca -0.10 -1.67 -0.27 0.00 -0.00 0.00 0.00 56.01 53.96 2hde n LEU 56 Cb 0.52 0.71 -0.15 0.00 -0.00 0.00 0.00 43.42 44.49 2hde n LEU 56 CO 0.41 -0.27 -0.53 0.00 -0.00 0.00 0.00 177.39 177.00 2hde s GLN 57 N -2.78 1.65 -0.04 1.47 0.00 -1.26 -0.67 119.66 118.02 2hde s GLN 57 Ca 0.16 -0.74 0.02 0.00 -0.00 0.00 0.00 55.36 54.79 2hde s GLN 57 Cb 0.01 -1.60 0.01 0.00 0.00 0.00 0.00 33.01 31.43 2hde s GLN 57 CO 0.11 0.44 -0.09 0.96 0.00 0.00 0.00 175.29 176.71 2hde s ILE 58 N -0.50 0.86 -1.17 3.63 -4.36 -1.11 -4.87 121.20 113.68 2hde s ILE 58 Ca 0.08 -0.35 -0.12 0.00 -0.26 0.00 0.00 60.65 59.99 2hde s ILE 58 Cb -0.08 -0.80 0.20 0.00 1.25 0.00 0.00 42.46 43.03 2hde s ILE 58 CO -0.01 0.28 1.33 -0.31 0.24 0.00 0.00 174.94 176.48 2hde s TYR 59 N 0.55 3.72 0.43 1.37 2.02 -1.25 -2.70 117.35 121.48 2hde s TYR 59 Ca -0.10 -2.29 0.07 0.00 -0.37 0.00 0.00 57.07 54.39 2hde s TYR 59 Cb -0.13 -4.17 -0.04 0.00 -0.40 0.00 0.00 41.96 37.22 2hde s TYR 59 CO 0.02 -1.27 0.24 -0.08 -1.57 0.00 0.00 175.55 172.89 2hde s THR 60 N 0.76 2.32 -0.15 -0.71 -1.32 -0.62 -4.56 115.64 111.37 2hde s THR 60 Ca 0.39 -1.60 0.00 0.00 -1.21 0.00 0.00 61.69 59.27 2hde s THR 60 Cb -0.05 -2.92 -0.00 0.00 -1.51 0.00 0.00 72.50 68.02 2hde s THR 60 CO -0.02 0.00 -0.15 -1.66 -2.21 0.00 0.00 174.62 170.57 2hde s TRP 61 N -2.59 2.78 0.28 9.09 -2.14 -1.26 0.21 118.94 125.31 2hde s TRP 61 Ca 0.42 -1.00 0.21 0.00 2.66 0.00 0.00 56.10 58.39 2hde s TRP 61 Cb 0.02 -1.88 0.94 0.00 -3.10 0.00 0.00 33.47 29.44 2hde s TRP 61 CO 0.23 -0.45 0.96 -1.33 -2.66 0.00 0.00 176.95 173.70 2hde n MET 62 N 3.99 -0.02 -1.17 3.25 2.81 -1.26 0.31 117.12 125.03 2hde n MET 62 Ca -0.19 0.75 -0.23 0.00 -1.81 0.00 0.00 57.70 56.23 2hde n MET 62 Cb 0.52 -1.52 0.17 0.00 -0.71 0.00 0.00 33.22 31.68 2hde n MET 62 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2hde n ASP 63 N -3.80 3.74 -4.83 7.83 -0.08 -1.26 -0.02 116.55 118.13 2hde n ASP 63 Ca 0.25 -3.53 -0.38 0.00 -1.51 0.00 0.00 54.79 49.62 2hde n ASP 63 Cb 1.00 -0.82 -0.06 0.00 2.34 0.00 0.00 41.12 43.58 2hde n ASP 63 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2hde s ALA 64 N -3.15 3.68 0.43 -1.67 0.00 0.90 -4.67 121.76 117.28 2hde s ALA 64 Ca 0.54 -0.20 -0.23 0.00 0.00 0.00 0.00 51.96 52.08 2hde s ALA 64 Cb 0.46 -2.41 -0.09 0.00 0.00 0.00 0.00 23.12 21.08 2hde s ALA 64 CO 0.10 0.46 1.05 0.95 0.00 0.00 0.00 175.76 178.33 2hde s THR 65 N -1.01 3.70 0.53 0.00 -4.23 -1.26 -0.33 115.64 113.03 2hde s THR 65 Ca 0.24 1.22 0.41 0.00 -1.18 0.00 0.00 61.69 62.38 2hde s THR 65 Cb -0.17 -3.59 0.62 0.00 1.34 0.00 0.00 72.50 70.69 2hde s THR 65 CO 0.14 -0.07 1.68 -0.07 -0.54 0.00 0.00 174.62 175.76 2hde h LEU 66 N 2.19 0.06 0.22 4.79 3.38 0.14 0.33 115.31 126.41 2hde h LEU 66 Ca -0.49 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 2hde h LEU 66 Cb 1.22 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2hde h LEU 66 CO 0.61 -0.02 -0.11 0.50 0.09 0.00 0.00 178.44 179.51 2hde h LYS 67 N 0.03 -0.28 -0.62 1.13 3.64 -1.71 -1.34 116.57 117.42 2hde h LYS 67 Ca 0.76 0.02 0.17 0.00 -1.27 0.00 0.00 60.65 60.32 2hde h LYS 67 Cb 2.90 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 34.75 2hde h LYS 67 CO -0.08 -0.18 0.44 0.93 -2.27 0.00 0.00 179.45 178.29 2hde h GLU 68 N -0.31 0.08 0.00 1.90 5.08 -0.67 0.46 114.58 121.13 2hde h GLU 68 Ca -0.03 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 2hde h GLU 68 Cb 0.24 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2hde h GLU 68 CO 0.05 0.06 -0.69 -0.07 -1.00 0.00 0.00 179.01 177.35 2hde h LEU 69 N 0.09 0.00 -1.44 1.33 -0.00 -1.19 -2.17 115.31 111.93 2hde h LEU 69 Ca 0.30 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.14 2hde h LEU 69 Cb 1.06 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.71 2hde h LEU 69 CO -0.03 0.69 0.01 0.74 -0.00 0.00 0.00 178.44 179.85 2hde h THR 70 N 0.00 1.15 0.17 0.22 2.02 0.10 -1.38 112.91 115.18 2hde h THR 70 Ca -0.01 -0.59 -0.26 0.00 0.77 0.00 0.00 66.41 66.32 2hde h THR 70 Cb 1.26 0.96 0.02 0.00 -1.74 0.00 0.00 68.15 68.64 2hde h THR 70 CO 0.09 0.20 -1.19 0.28 0.37 0.00 0.00 175.52 175.27 2hde h SER 71 N 0.37 0.55 -0.68 4.18 0.02 -1.34 -3.01 113.55 113.64 2hde h SER 71 Ca 0.08 -0.92 0.11 0.00 -0.84 0.00 0.00 61.79 60.22 2hde h SER 71 Cb 0.24 -0.18 -0.08 0.00 0.14 0.00 0.00 62.40 62.52 2hde h SER 71 CO 0.00 1.56 0.27 -0.07 -1.14 0.00 0.00 176.83 177.45 2hde h LEU 72 N -0.20 0.28 -0.69 5.07 3.38 -1.15 0.78 115.31 122.78 2hde h LEU 72 Ca -0.23 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 2hde h LEU 72 Cb 1.83 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.61 2hde h LEU 72 CO 0.16 0.15 0.32 0.58 0.09 0.00 0.00 178.44 179.74 2hde h VAL 73 N 0.45 1.23 -0.44 1.22 2.07 -1.36 -2.68 116.25 116.74 2hde h VAL 73 Ca 0.35 -0.67 0.08 0.00 0.82 0.00 0.00 66.70 67.28 2hde h VAL 73 Cb 0.46 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 30.55 2hde h VAL 73 CO -0.33 0.28 0.04 0.11 0.02 0.00 0.00 177.57 177.68 2hde h LYS 74 N 0.97 0.15 -0.03 1.57 6.56 -0.75 0.72 116.57 125.75 2hde h LYS 74 Ca 0.24 -0.01 0.01 0.00 -1.06 0.00 0.00 60.65 59.83 2hde h LYS 74 Cb 0.14 -0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 31.76 2hde h LYS 74 CO -0.03 0.10 0.03 1.49 -2.06 0.00 0.00 179.45 178.98 2hde h GLU 75 N 0.15 0.00 -0.29 3.15 4.22 -0.91 -0.34 114.58 120.57 2hde h GLU 75 Ca 0.22 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.66 2hde h GLU 75 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2hde h GLU 75 CO -0.33 0.00 0.00 0.28 -2.18 0.00 0.00 179.01 176.78 2hde n VAL 76 N -4.20 0.41 -3.45 0.32 0.31 0.49 -4.86 118.33 107.35 2hde n VAL 76 Ca -0.02 -0.70 -0.11 0.00 -0.01 0.00 0.00 64.34 63.49 2hde n VAL 76 Cb 0.12 1.06 -0.10 0.00 -0.91 0.00 0.00 33.84 34.01 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 -1.45 -0.67 0.09 3.52 6.14 0.22 -5.01 117.35 120.19 2hde s TYR 77 Ca 0.33 0.80 -0.16 0.00 0.64 0.00 0.00 57.07 58.67 2hde s TYR 77 Cb 0.20 -0.03 -0.08 0.00 0.42 0.00 0.00 41.96 42.46 2hde s TYR 77 CO 0.28 -0.63 1.44 -1.00 0.64 0.00 0.00 175.55 176.28 2hde h PRO 78 N 8.22 0.61 0.00 4.97 0.13 -1.87 -3.06 132.00 141.00 2hde h PRO 78 Ca -0.18 -0.28 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 2hde h PRO 78 Cb 1.15 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 2hde h PRO 78 CO 0.24 0.86 -0.12 0.93 -0.23 0.00 0.00 178.00 179.69 2hde h GLU 79 N 0.35 0.00 -0.50 0.86 4.39 -1.96 -2.32 114.58 115.39 2hde h GLU 79 Ca 0.06 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.67 2hde h GLU 79 Cb 0.70 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 2hde h GLU 79 CO 0.05 0.12 -0.02 0.00 -1.16 0.00 0.00 179.01 177.99 2hde h ALA 80 N 1.88 1.01 -0.14 3.43 0.00 -1.88 -2.53 119.26 121.04 2hde h ALA 80 Ca -0.00 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.66 2hde h ALA 80 Cb 0.21 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2hde h ALA 80 CO 0.02 0.61 0.38 0.00 0.00 0.00 0.00 179.25 180.25 2hde h ARG 81 N 0.80 0.00 -6.77 0.00 3.08 -1.41 -3.43 114.38 106.64 2hde h ARG 81 Ca 0.15 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.66 2hde h ARG 81 Cb 0.51 0.00 0.09 0.00 0.08 0.00 0.00 29.97 30.65 2hde h ARG 81 CO 0.03 0.00 0.85 1.17 -1.07 0.00 0.00 179.97 180.94 2hde n LYS 82 N -3.16 2.62 -2.12 0.04 4.81 -0.96 -4.93 118.16 114.46 2hde n LYS 82 Ca 0.01 0.93 -0.40 0.00 -0.87 0.00 0.00 58.31 57.98 2hde n LYS 82 Cb 0.47 -2.70 -0.02 0.00 0.02 0.00 0.00 35.03 32.80 2hde n LYS 82 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 2hde s LYS 83 N -0.55 4.23 0.00 1.64 0.00 -1.26 -2.94 119.74 120.86 2hde s LYS 83 Ca 0.64 2.16 0.00 0.00 0.00 0.00 0.00 55.97 58.77 2hde s LYS 83 Cb -0.51 -2.95 0.00 0.00 0.00 0.00 0.00 37.83 34.37 2hde s LYS 83 CO 0.49 -0.28 0.00 0.41 0.00 0.00 0.00 175.35 175.98 2hde n GLY 84 N 0.76 0.72 3.69 0.59 0.00 -1.26 -4.76 105.19 104.93 2hde n GLY 84 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.21 4.94 0.02 2.61 2.01 -1.15 -4.39 115.64 117.47 2hde s THR 85 Ca 0.00 1.61 -0.02 0.00 0.31 0.00 0.00 61.69 63.59 2hde s THR 85 Cb 0.00 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 2hde s THR 85 CO 0.00 0.13 0.20 -2.28 -0.69 0.00 0.00 174.62 171.98 2hde s HIS 86 N 1.50 3.54 -0.10 4.92 2.46 -1.10 -0.97 115.29 125.54 2hde s HIS 86 Ca 0.40 0.34 -0.03 0.00 0.47 0.00 0.00 55.06 56.23 2hde s HIS 86 Cb -0.18 -1.82 0.05 0.00 -0.13 0.00 0.00 32.58 30.51 2hde s HIS 86 CO 0.16 0.62 0.15 -0.06 -2.47 0.00 0.00 174.74 173.15 2hde s PHE 87 N -1.39 -0.14 -0.31 3.88 0.40 -0.76 0.27 117.98 119.93 2hde s PHE 87 Ca 0.30 0.47 -0.16 0.00 -0.60 0.00 0.00 56.93 56.94 2hde s PHE 87 Cb -0.13 -0.32 -0.02 0.00 0.51 0.00 0.00 43.02 43.06 2hde s PHE 87 CO 0.22 -0.32 0.43 -0.80 0.70 0.00 0.00 175.22 175.45 2hde s ASN 88 N 2.28 6.28 -0.12 1.36 -0.87 -0.41 -1.09 114.94 122.37 2hde s ASN 88 Ca 0.04 0.12 -0.25 0.00 -1.57 0.00 0.00 52.86 51.20 2hde s ASN 88 Cb -0.13 -2.23 -0.03 0.00 -0.02 0.00 0.00 41.25 38.84 2hde s ASN 88 CO -0.06 -0.32 0.78 -0.36 -2.57 0.00 0.00 177.10 174.57 2hde s PHE 89 N 2.19 3.50 0.33 2.20 0.08 0.16 -0.61 117.98 125.83 2hde s PHE 89 Ca 0.16 1.27 -0.00 0.00 0.12 0.00 0.00 56.93 58.48 2hde s PHE 89 Cb -0.16 -2.93 -0.01 0.00 -0.57 0.00 0.00 43.02 39.36 2hde s PHE 89 CO 0.11 -0.09 0.41 0.00 -0.10 0.00 0.00 175.22 175.56 2hde s ALA 90 N 1.50 1.01 -0.21 5.36 0.00 -0.90 -0.74 121.76 127.78 2hde s ALA 90 Ca 0.39 -1.64 0.01 0.00 0.00 0.00 0.00 51.96 50.72 2hde s ALA 90 Cb -0.17 1.24 0.05 0.00 0.00 0.00 0.00 23.12 24.23 2hde s ALA 90 CO 0.16 -0.75 -0.11 0.42 0.00 0.00 0.00 175.76 175.47 2hde s ILE 91 N -3.22 1.81 0.14 0.00 1.01 0.33 0.28 121.20 121.56 2hde s ILE 91 Ca 0.33 -1.17 0.02 0.00 0.00 0.00 0.00 60.65 59.82 2hde s ILE 91 Cb 0.01 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 2hde s ILE 91 CO 0.21 0.14 -0.03 0.54 0.00 0.00 0.00 174.94 175.81 2hde s VAL 92 N 1.31 0.68 -0.05 2.92 0.11 -1.03 -2.67 120.40 121.66 2hde s VAL 92 Ca -0.03 -1.96 0.05 0.00 -2.93 0.00 0.00 61.98 57.11 2hde s VAL 92 Cb -0.17 -1.93 -0.01 0.00 -1.53 0.00 0.00 36.38 32.74 2hde s VAL 92 CO -0.08 -0.64 -0.20 0.72 -3.33 0.00 0.00 175.10 171.57 2hde s PHE 93 N -3.65 2.02 1.10 1.54 -0.12 -1.26 -4.63 117.98 112.99 2hde s PHE 93 Ca 0.19 -0.61 -0.14 0.00 -0.05 0.00 0.00 56.93 56.31 2hde s PHE 93 Cb 0.06 -1.35 0.18 0.00 -0.63 0.00 0.00 43.02 41.28 2hde s PHE 93 CO 0.00 -0.20 0.61 2.41 -0.05 0.00 0.00 175.22 177.99 2hde n THR 94 N 3.11 0.00 -1.71 -4.49 -1.04 -1.26 -4.91 114.28 103.98 2hde n THR 94 Ca -0.18 -0.32 -0.38 0.00 -2.04 0.00 0.00 64.05 61.13 2hde n THR 94 Cb 0.53 -0.82 0.06 0.00 -1.82 0.00 0.00 70.33 68.27 2hde n THR 94 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2hde n ASP 95 N -3.32 2.11 -1.87 8.00 2.03 -1.26 -5.01 116.55 117.23 2hde n ASP 95 Ca 0.04 0.89 -0.05 0.00 0.52 0.00 0.00 54.79 56.19 2hde n ASP 95 Cb 0.57 -1.54 0.01 0.00 -0.72 0.00 0.00 41.12 39.44 2hde n ASP 95 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 2hde n VAL 96 N -1.50 0.00 -0.02 5.18 3.14 -1.26 -5.04 118.33 118.84 2hde n VAL 96 Ca 0.13 -0.52 -0.14 0.00 -2.96 0.00 0.00 64.34 60.84 2hde n VAL 96 Cb 0.46 0.48 -0.03 0.00 -1.06 0.00 0.00 33.84 33.69 2hde n VAL 96 CO 0.00 0.00 0.00 0.07 -6.46 0.00 0.00 176.83 170.44 2hde h LYS 97 N 0.00 0.71 -5.10 1.45 -0.00 -2.05 -3.42 116.57 108.17 2hde h LYS 97 Ca -0.16 -0.54 -0.62 0.00 -0.00 0.00 0.00 60.65 59.33 2hde h LYS 97 Cb 0.59 0.10 -0.15 0.00 -0.00 0.00 0.00 32.23 32.77 2hde h LYS 97 CO 0.20 1.15 -0.52 -0.98 -0.00 0.00 0.00 179.45 179.31 2hde s ARG 98 N -3.84 4.03 0.00 0.07 3.03 -1.26 -5.05 118.95 115.93 2hde s ARG 98 Ca -0.09 -0.29 0.00 0.00 2.03 0.00 0.00 55.73 57.38 2hde s ARG 98 Cb 0.10 -3.49 0.00 0.00 -1.03 0.00 0.00 34.95 30.52 2hde s ARG 98 CO 0.88 0.06 0.25 -2.30 -1.13 0.00 0.00 175.30 173.07 2hde n PRO 99 N 4.26 0.00 -2.28 3.89 -0.02 -1.26 -4.87 135.00 134.71 2hde n PRO 99 Ca -0.15 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.12 2hde n PRO 99 Cb 0.52 -0.75 -0.02 0.00 -0.02 0.00 0.00 33.50 33.23 2hde n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hde n GLY 100 N -0.17 -0.15 3.56 -1.23 0.00 -1.26 -4.89 105.19 101.06 2hde n GLY 100 Ca 0.00 -0.02 -0.46 0.00 0.00 0.00 0.00 46.02 45.54 2hde n GLY 100 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2hde n TYR 101 N -3.80 1.08 -2.54 1.61 4.11 -1.26 -4.87 117.16 111.48 2hde n TYR 101 Ca -0.24 0.73 -0.01 0.00 -0.00 0.00 0.00 57.90 58.38 2hde n TYR 101 Cb 0.68 -2.23 0.02 0.00 -0.00 0.00 0.00 39.34 37.82 2hde n TYR 101 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73 2hde n ARG 102 N 1.05 0.22 -2.76 -3.48 3.00 -1.26 -5.15 116.66 108.29 2hde n ARG 102 Ca 0.12 -0.26 -0.40 0.00 -0.00 0.00 0.00 57.85 57.31 2hde n ARG 102 Cb 0.29 0.06 -0.05 0.00 0.00 0.00 0.00 32.46 32.76 2hde n ARG 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2hde s VAL 103 N 0.02 4.30 -0.01 5.15 0.11 -1.26 -4.93 120.40 123.78 2hde s VAL 103 Ca 0.02 2.05 -0.14 0.00 -2.93 0.00 0.00 61.98 60.98 2hde s VAL 103 Cb 0.07 -4.31 0.02 0.00 -1.53 0.00 0.00 36.38 30.63 2hde s VAL 103 CO -0.02 0.41 0.30 -0.75 -3.33 0.00 0.00 175.10 171.71 2hde s LYS 104 N -0.59 0.65 0.07 1.54 2.20 -1.09 -4.96 119.74 117.56 2hde s LYS 104 Ca 0.43 -0.20 -0.05 0.00 -0.36 0.00 0.00 55.97 55.80 2hde s LYS 104 Cb -0.24 0.29 -0.05 0.00 -1.51 0.00 0.00 37.83 36.31 2hde s LYS 104 CO 0.30 -0.18 0.31 -2.00 -0.36 0.00 0.00 175.35 173.42 2hde s GLU 105 N -1.31 3.58 -0.01 4.03 -6.30 -1.26 -0.51 118.70 116.91 2hde s GLU 105 Ca -0.13 -0.12 0.05 0.00 -2.50 0.00 0.00 54.97 52.26 2hde s GLU 105 Cb -0.05 -2.99 -0.07 0.00 0.00 0.00 0.00 34.13 31.02 2hde s GLU 105 CO 0.04 0.57 0.09 0.44 0.02 0.00 0.00 175.26 176.43 2hde n ILE 106 N 0.60 0.04 0.00 -3.70 -6.64 0.08 -4.95 119.36 104.80 2hde n ILE 106 Ca -0.07 -0.12 0.00 0.00 -1.77 0.00 0.00 62.75 60.79 2hde n ILE 106 Cb 0.52 0.23 0.00 0.00 -1.44 0.00 0.00 39.64 38.95 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 2.29 1.70 3.10 3.28 0.00 -1.17 -5.03 105.19 109.37 2hde n GLY 107 Ca -0.02 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.29 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 1.49 0.00 1.61 0.01 -1.26 0.38 113.70 115.94 2hde s SER 108 Ca 0.00 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.93 2hde s SER 108 Cb 0.00 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.10 2hde s SER 108 CO 0.00 0.08 0.00 0.35 0.41 0.00 0.00 173.24 174.08 2hde n THR 109 N 2.34 0.00 -4.05 1.44 -2.24 -0.25 -4.63 114.28 106.90 2hde n THR 109 Ca -0.16 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.52 2hde n THR 109 Cb 0.55 -0.30 -0.07 0.00 -2.10 0.00 0.00 70.33 68.41 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 -1.53 1.34 -1.01 -0.78 -1.94 -1.24 -1.84 119.30 112.30 2hde s MET 110 Ca 0.00 -1.34 -0.23 0.00 -1.71 0.00 0.00 55.69 52.41 2hde s MET 110 Cb 0.00 0.39 -0.00 0.00 2.01 0.00 0.00 34.83 37.23 2hde s MET 110 CO 0.00 -0.51 1.73 -1.12 -0.01 0.00 0.00 175.02 175.11 2hde s SER 111 N -3.04 5.83 0.00 3.03 0.01 -0.15 -3.25 113.70 116.13 2hde s SER 111 Ca 0.26 -1.25 0.00 0.00 1.31 0.00 0.00 55.95 56.27 2hde s SER 111 Cb 0.03 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2hde s SER 111 CO 0.07 -2.14 0.00 0.61 0.41 0.00 0.00 173.24 172.20 2hde n GLY 112 N 6.63 0.63 3.31 3.44 0.00 -1.26 -3.99 105.19 113.95 2hde n GLY 112 Ca 0.39 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.03 2hde n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hde s ARG 113 N -0.17 2.87 -0.56 1.61 3.00 -1.20 -5.06 118.95 119.44 2hde s ARG 113 Ca 0.00 -1.00 -0.28 0.00 0.00 0.00 0.00 55.73 54.45 2hde s ARG 113 Cb 0.00 -3.39 0.02 0.00 0.00 0.00 0.00 34.95 31.58 2hde s ARG 113 CO 0.00 -0.54 1.33 0.21 0.00 0.00 0.00 175.30 176.31 2hde s LYS 114 N 1.45 3.40 0.00 3.54 2.20 -1.26 -3.61 119.74 125.46 2hde s LYS 114 Ca 0.01 0.41 0.00 0.00 -0.36 0.00 0.00 55.97 56.03 2hde s LYS 114 Cb -0.18 -4.08 0.00 0.00 -1.51 0.00 0.00 37.83 32.06 2hde s LYS 114 CO 0.02 -1.82 0.00 0.41 -0.36 0.00 0.00 175.35 173.60 2hde n GLY 115 N 5.18 0.73 0.09 5.54 0.00 -1.26 -4.99 105.19 110.48 2hde n GLY 115 Ca 0.11 -1.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 2hde n GLY 115 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2hde h THR 116 N -0.04 1.10 0.00 2.61 1.35 -1.94 -3.33 112.91 112.65 2hde h THR 116 Ca 0.00 -2.85 -0.04 0.00 -0.55 0.00 0.00 66.41 62.97 2hde h THR 116 Cb 0.00 2.62 -0.01 0.00 -1.73 0.00 0.00 68.15 69.03 2hde h THR 116 CO 0.00 0.72 -0.41 0.44 -0.25 0.00 0.00 175.52 176.03 2hde h ASP 117 N 0.03 0.00 -1.00 5.36 3.32 -1.96 -3.32 116.42 118.86 2hde h ASP 117 Ca -0.23 0.00 0.16 0.00 0.02 0.00 0.00 57.03 56.99 2hde h ASP 117 Cb 1.97 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 41.42 2hde h ASP 117 CO 0.12 0.19 0.61 -0.78 -1.72 0.00 0.00 179.24 177.65 2hde h ASP 118 N 0.00 0.82 0.64 6.45 3.58 -1.82 0.47 116.42 126.56 2hde h ASP 118 Ca -0.01 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2hde h ASP 118 Cb 1.15 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.13 2hde h ASP 118 CO 0.02 0.35 0.00 -0.24 -2.88 0.00 0.00 179.24 176.49 2hde n SER 119 N -4.72 0.00 -4.86 2.28 2.88 -1.25 -2.22 113.62 105.73 2hde n SER 119 Ca 0.22 0.38 -0.31 0.00 -1.33 0.00 0.00 58.87 57.82 2hde n SER 119 Cb 0.49 -0.45 0.02 0.00 -0.75 0.00 0.00 64.21 63.52 2hde n SER 119 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 2hde s MET 120 N -2.90 3.48 0.19 -1.46 1.75 0.16 -4.80 119.30 115.73 2hde s MET 120 Ca 0.12 0.76 0.07 0.00 -1.25 0.00 0.00 55.69 55.39 2hde s MET 120 Cb 0.14 -2.07 -0.04 0.00 2.84 0.00 0.00 34.83 35.70 2hde s MET 120 CO 0.36 -0.66 0.04 0.95 -0.65 0.00 0.00 175.02 175.07 2hde s THR 121 N -3.17 3.90 0.13 10.11 -4.23 -1.26 0.12 115.64 121.23 2hde s THR 121 Ca 0.56 -1.42 -0.19 0.00 -1.18 0.00 0.00 61.69 59.45 2hde s THR 121 Cb -0.11 -3.00 -0.03 0.00 1.34 0.00 0.00 72.50 70.69 2hde s THR 121 CO 0.54 -0.17 1.74 -0.07 -0.54 0.00 0.00 174.62 176.12 2hde h LEU 122 N 2.42 0.01 -1.28 4.79 3.38 -0.76 -1.98 115.31 121.89 2hde h LEU 122 Ca -0.47 0.03 0.26 0.00 0.09 0.00 0.00 57.88 57.79 2hde h LEU 122 Cb 1.21 0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.91 2hde h LEU 122 CO 0.60 0.04 0.65 0.06 0.09 0.00 0.00 178.44 179.88 2hde h GLN 123 N 0.13 0.44 0.00 1.13 3.07 -0.72 1.07 115.11 120.23 2hde h GLN 123 Ca 0.10 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.82 2hde h GLN 123 Cb 0.10 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2hde h GLN 123 CO -0.13 0.29 0.00 0.45 0.09 0.00 0.00 178.83 179.52 2hde n SER 124 N -4.68 0.63 -0.98 0.06 2.88 -0.75 -2.11 113.62 108.68 2hde n SER 124 Ca 0.25 0.66 0.06 0.00 -1.33 0.00 0.00 58.87 58.51 2hde n SER 124 Cb 0.83 -0.79 0.21 0.00 -0.75 0.00 0.00 64.21 63.71 2hde n SER 124 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2hde n GLN 125 N -2.20 2.46 -1.13 -1.46 1.13 0.37 -4.88 117.38 111.67 2hde n GLN 125 Ca 0.02 -1.65 -0.05 0.00 -1.94 0.00 0.00 57.00 53.39 2hde n GLN 125 Cb 0.23 -1.56 -0.02 0.00 0.11 0.00 0.00 30.24 29.00 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 -1.44 -1.80 -1.09 5.02 -0.90 -4.96 118.16 113.60 2hde n LYS 126 Ca 0.15 0.58 -0.32 0.00 -2.02 0.00 0.00 58.31 56.71 2hde n LYS 126 Cb 0.52 -4.76 0.03 0.00 -0.02 0.00 0.00 35.03 30.80 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 -1.61 3.14 0.19 2.13 5.36 -1.23 -5.07 117.98 120.90 2hde s PHE 127 Ca 0.00 1.44 -0.08 0.00 -0.96 0.00 0.00 56.93 57.33 2hde s PHE 127 Cb 0.00 -2.90 -0.01 0.00 -0.34 0.00 0.00 43.02 39.77 2hde s PHE 127 CO 0.00 -1.09 0.30 1.14 -1.46 0.00 0.00 175.22 174.12 2hde s GLN 128 N -4.69 1.27 -0.27 10.12 -2.07 -1.26 -4.68 119.66 118.09 2hde s GLN 128 Ca 0.60 -1.30 -0.28 0.00 -1.82 0.00 0.00 55.36 52.56 2hde s GLN 128 Cb -0.14 0.38 -0.03 0.00 -1.09 0.00 0.00 33.01 32.12 2hde s GLN 128 CO 0.48 -0.48 2.02 0.42 -1.32 0.00 0.00 175.29 176.41 2hde s ILE 129 N -4.02 3.23 0.00 3.63 1.01 -1.26 -1.40 121.20 122.39 2hde s ILE 129 Ca 0.23 0.23 0.00 0.00 0.00 0.00 0.00 60.65 61.12 2hde s ILE 129 Cb 0.03 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.19 2hde s ILE 129 CO 0.05 -0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.40 2hde n GLY 130 N 5.61 0.99 3.64 6.18 0.00 -1.26 -5.09 105.19 115.25 2hde n GLY 130 Ca 0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.99 2hde n GLY 130 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hde s ASP 131 N -1.93 2.59 -0.41 1.61 2.15 -0.49 -4.79 116.67 115.41 2hde s ASP 131 Ca 0.00 1.81 -0.09 0.00 0.43 0.00 0.00 52.55 54.69 2hde s ASP 131 Cb 0.00 -2.40 0.07 0.00 -0.30 0.00 0.00 42.92 40.29 2hde s ASP 131 CO 0.00 -3.24 0.24 -0.72 -0.17 0.00 0.00 175.17 171.28 2hde s TYR 132 N -2.68 3.32 -0.21 -5.34 1.13 -1.26 -4.06 117.35 108.25 2hde s TYR 132 Ca 0.66 -1.43 -0.09 0.00 -1.41 0.00 0.00 57.07 54.80 2hde s TYR 132 Cb -0.22 -2.83 -0.05 0.00 -1.10 0.00 0.00 41.96 37.77 2hde s TYR 132 CO 0.60 -0.81 0.12 -0.51 -2.51 0.00 0.00 175.55 172.44 2hde s LEU 133 N 1.45 4.05 -0.37 -3.49 1.43 -1.13 -2.47 118.68 118.14 2hde s LEU 133 Ca 0.02 0.13 -0.05 0.00 -1.03 0.00 0.00 54.13 53.21 2hde s LEU 133 Cb -0.22 -2.06 0.08 0.00 0.03 0.00 0.00 46.19 44.02 2hde s LEU 133 CO 0.03 0.13 0.16 1.51 0.23 0.00 0.00 176.35 178.40 2hde s ASP 134 N 0.66 5.29 -0.01 2.29 -4.77 0.14 -1.25 116.67 119.03 2hde s ASP 134 Ca 0.07 -1.55 -0.21 0.00 -3.30 0.00 0.00 52.55 47.56 2hde s ASP 134 Cb -0.12 -1.85 -0.05 0.00 -1.09 0.00 0.00 42.92 39.80 2hde s ASP 134 CO 0.01 -0.44 0.59 -0.63 0.70 0.00 0.00 175.17 175.41 2hde s ILE 135 N 1.29 4.92 -0.53 2.11 1.01 0.14 -2.12 121.20 128.03 2hde s ILE 135 Ca 0.02 1.24 -0.09 0.00 0.00 0.00 0.00 60.65 61.82 2hde s ILE 135 Cb -0.22 -3.93 0.13 0.00 0.01 0.00 0.00 42.46 38.46 2hde s ILE 135 CO -0.00 0.41 0.40 0.00 0.00 0.00 0.00 174.94 175.75 2hde s ALA 136 N -0.13 3.49 -0.13 9.38 0.00 0.22 -2.58 121.76 132.00 2hde s ALA 136 Ca 0.31 -2.70 -0.23 0.00 0.00 0.00 0.00 51.96 49.34 2hde s ALA 136 Cb -0.18 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 2hde s ALA 136 CO 0.17 -1.97 0.70 0.42 0.00 0.00 0.00 175.76 175.08 2hde s ILE 137 N 1.08 5.01 -0.30 0.00 1.01 -0.71 -1.29 121.20 126.00 2hde s ILE 137 Ca 0.08 1.39 -0.04 0.00 0.00 0.00 0.00 60.65 62.08 2hde s ILE 137 Cb -0.24 -4.03 0.04 0.00 0.01 0.00 0.00 42.46 38.24 2hde s ILE 137 CO -0.02 0.16 0.04 -0.89 0.00 0.00 0.00 174.94 174.23 2hde s THR 138 N 1.44 3.40 0.67 2.92 2.01 0.14 -0.56 115.64 125.66 2hde s THR 138 Ca 0.35 -1.12 -0.17 0.00 0.31 0.00 0.00 61.69 61.05 2hde s THR 138 Cb -0.17 -2.87 -0.00 0.00 0.01 0.00 0.00 72.50 69.47 2hde s THR 138 CO 0.14 -0.04 1.25 -0.81 -0.69 0.00 0.00 174.62 174.47 2hde n PRO 139 N 4.73 0.98 -0.07 4.92 -0.04 -1.26 -2.70 135.00 141.56 2hde n PRO 139 Ca -0.14 0.39 0.04 0.00 -0.04 0.00 0.00 63.50 63.76 2hde n PRO 139 Cb 0.45 -2.49 0.15 0.00 -0.04 0.00 0.00 33.50 31.58 2hde n PRO 139 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2hde n PRO 140 N -1.99 1.35 0.11 0.54 -0.04 -1.26 -3.84 135.00 129.87 2hde n PRO 140 Ca 0.15 -0.55 0.12 0.00 -0.04 0.00 0.00 63.50 63.19 2hde n PRO 140 Cb 0.48 -1.17 0.45 0.00 -0.04 0.00 0.00 33.50 33.23 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 -0.10 0.65 -0.05 3.54 2.04 -1.26 -3.50 115.26 116.58 2hde n ASN 141 Ca 0.07 0.61 -0.05 0.00 -0.44 0.00 0.00 54.58 54.77 2hde n ASN 141 Cb 0.14 -0.77 -0.07 0.00 -2.53 0.00 0.00 39.78 36.56 2hde n ASN 141 CO 0.00 0.00 0.00 -1.14 -0.44 0.00 0.00 177.26 175.68 2hde n ARG 142 N -2.16 2.08 -1.53 -3.83 0.63 -1.25 -4.96 116.66 105.63 2hde n ARG 142 Ca 0.04 0.01 -0.44 0.00 -0.92 0.00 0.00 57.85 56.54 2hde n ARG 142 Cb 0.31 -1.23 -0.05 0.00 0.45 0.00 0.00 32.46 31.94 2hde n ARG 142 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2hde n ALA 143 N -2.44 1.29 -0.92 5.13 0.00 -1.23 -4.93 120.51 117.41 2hde n ALA 143 Ca -0.16 -0.33 -0.32 0.00 0.00 0.00 0.00 53.44 52.63 2hde n ALA 143 Cb 0.78 -2.83 0.14 0.00 0.00 0.00 0.00 19.45 17.54 2hde n ALA 143 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2hde s PRO 144 N 6.84 1.45 1.15 0.00 0.02 -1.26 -5.00 135.00 138.19 2hde s PRO 144 Ca 1.05 1.53 -0.13 0.00 0.02 0.00 0.00 61.00 63.48 2hde s PRO 144 Cb -0.52 -1.78 0.28 0.00 0.02 0.00 0.00 34.50 32.50 2hde s PRO 144 CO 0.39 -2.31 1.04 -2.14 -0.33 0.00 0.00 177.00 173.64 2hde s PRO 145 N -4.54 -0.80 0.29 5.54 0.02 -1.26 -4.92 135.00 129.32 2hde s PRO 145 Ca 0.67 0.87 -0.30 0.00 0.02 0.00 0.00 61.00 62.26 2hde s PRO 145 Cb -0.23 -1.57 -0.12 0.00 0.02 0.00 0.00 34.50 32.61 2hde s PRO 145 CO 0.55 -3.65 1.62 -2.30 -0.33 0.00 0.00 177.00 172.89 2hde n PRO 146 N -4.87 2.74 0.07 5.54 -0.02 -1.26 -4.81 135.00 132.38 2hde n PRO 146 Ca 0.04 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 2hde n PRO 146 Cb 0.54 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 2hde n PRO 146 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2hde n SER 147 N 2.37 -1.00 -4.74 2.55 3.41 -1.26 -5.11 113.62 109.83 2hde n SER 147 Ca 0.09 0.25 -0.41 0.00 -0.26 0.00 0.00 58.87 58.54 2hde n SER 147 Cb 0.37 1.21 -0.04 0.00 -0.26 0.00 0.00 64.21 65.49 2hde n SER 147 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2hde s GLY 148 N -2.73 2.92 0.00 5.00 0.00 -1.26 -5.33 107.32 105.92 2hde s GLY 148 Ca 0.00 0.73 0.27 0.00 0.00 0.00 0.00 44.72 45.72 2hde s GLY 148 CO 0.00 1.56 1.66 0.54 0.00 0.00 0.00 173.10 176.86