#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 1.50 0.30 1.61 0.15 -1.26 -5.14 113.70 110.86 2hde s SER 3 Ca 0.00 -0.15 0.03 0.00 0.70 0.00 0.00 55.95 56.53 2hde s SER 3 Cb 0.00 -0.54 -0.06 0.00 -1.71 0.00 0.00 66.02 63.72 2hde s SER 3 CO 0.00 -0.12 0.08 -2.28 1.20 0.00 0.00 173.24 172.11 2hde s HIS 4 N 1.52 1.78 0.31 3.44 5.65 -1.26 -5.14 115.29 121.60 2hde s HIS 4 Ca -0.01 -1.07 -0.24 0.00 0.25 0.00 0.00 55.06 53.99 2hde s HIS 4 Cb -0.13 -1.12 -0.10 0.00 -1.18 0.00 0.00 32.58 30.05 2hde s HIS 4 CO -0.04 -0.15 0.90 0.00 -0.65 0.00 0.00 174.74 174.80 2hde s MET 5 N -3.94 4.49 0.05 2.88 0.00 -1.26 -5.07 119.30 116.44 2hde s MET 5 Ca 0.37 1.22 0.09 0.00 0.00 0.00 0.00 55.69 57.36 2hde s MET 5 Cb 0.08 -2.76 -0.03 0.00 0.00 0.00 0.00 34.83 32.12 2hde s MET 5 CO 0.15 0.27 -0.26 1.03 0.00 0.00 0.00 175.02 176.21 2hde s ARG 6 N -2.14 1.75 0.37 3.16 0.52 -1.26 -5.15 118.95 116.20 2hde s ARG 6 Ca 0.50 -1.09 0.08 0.00 -0.52 0.00 0.00 55.73 54.70 2hde s ARG 6 Cb -0.17 -1.92 -0.06 0.00 0.52 0.00 0.00 34.95 33.32 2hde s ARG 6 CO 0.22 0.50 0.05 0.14 0.02 0.00 0.00 175.30 176.23 2hde s VAL 7 N -0.81 2.43 -0.02 3.52 -7.23 -1.26 -5.15 120.40 111.89 2hde s VAL 7 Ca 0.11 -1.92 0.05 0.00 -1.81 0.00 0.00 61.98 58.42 2hde s VAL 7 Cb -0.10 -2.87 -0.01 0.00 0.56 0.00 0.00 36.38 33.96 2hde s VAL 7 CO 0.02 -0.12 -0.17 0.42 -0.31 0.00 0.00 175.10 174.94 2hde s THR 8 N -2.57 1.40 -0.33 5.32 -4.23 -1.26 -5.11 115.64 108.85 2hde s THR 8 Ca 0.36 -0.74 -0.28 0.00 -1.18 0.00 0.00 61.69 59.85 2hde s THR 8 Cb 0.03 -1.17 0.02 0.00 1.34 0.00 0.00 72.50 72.71 2hde s THR 8 CO 0.20 0.40 1.04 -1.10 -0.54 0.00 0.00 174.62 174.62 2hde s GLN 9 N -0.30 4.01 0.06 3.99 -0.21 -1.26 -5.03 119.66 120.92 2hde s GLN 9 Ca 0.04 0.95 -0.00 0.00 0.02 0.00 0.00 55.36 56.37 2hde s GLN 9 Cb -0.08 -3.75 -0.04 0.00 1.00 0.00 0.00 33.01 30.14 2hde s GLN 9 CO -0.00 -0.92 0.22 -1.21 -2.12 0.00 0.00 175.29 171.26 2hde s GLU 10 N 3.63 3.45 -0.11 2.91 0.41 -1.26 -5.10 118.70 122.63 2hde s GLU 10 Ca 0.44 -0.41 -0.01 0.00 -0.41 0.00 0.00 54.97 54.57 2hde s GLU 10 Cb -0.12 -3.03 0.03 0.00 -1.78 0.00 0.00 34.13 29.24 2hde s GLU 10 CO 0.16 0.60 -0.01 -1.83 -0.49 0.00 0.00 175.26 173.70 2hde s GLU 11 N -2.50 0.81 -0.48 1.61 -1.05 -1.26 -5.09 118.70 110.74 2hde s GLU 11 Ca 0.35 -0.08 0.03 0.00 -0.15 0.00 0.00 54.97 55.12 2hde s GLU 11 Cb -0.13 -1.34 0.13 0.00 -0.44 0.00 0.00 34.13 32.35 2hde s GLU 11 CO 0.27 -0.37 0.25 0.42 0.95 0.00 0.00 175.26 176.78 2hde s ILE 12 N 1.89 2.02 -0.38 1.83 -1.09 -1.26 -4.89 121.20 119.32 2hde s ILE 12 Ca 0.04 -2.94 0.07 0.00 -2.23 0.00 0.00 60.65 55.58 2hde s ILE 12 Cb -0.13 -2.41 0.31 0.00 -1.58 0.00 0.00 42.46 38.64 2hde s ILE 12 CO -0.06 -0.84 1.27 2.29 -1.23 0.00 0.00 174.94 176.37 2hde n LYS 13 N 3.33 0.93 -2.59 2.79 2.85 -1.26 -5.13 118.16 119.08 2hde n LYS 13 Ca 0.07 -1.54 -0.42 0.00 -1.05 0.00 0.00 58.31 55.36 2hde n LYS 13 Cb 0.33 -0.09 -0.03 0.00 -0.65 0.00 0.00 35.03 34.60 2hde n LYS 13 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2hde s LYS 14 N 0.16 4.42 -0.21 -1.58 2.47 -1.26 -5.03 119.74 118.71 2hde s LYS 14 Ca 0.18 1.53 0.02 0.00 -1.56 0.00 0.00 55.97 56.13 2hde s LYS 14 Cb 0.31 -3.51 0.04 0.00 -1.46 0.00 0.00 37.83 33.21 2hde s LYS 14 CO -0.07 -0.31 -0.15 -2.00 0.16 0.00 0.00 175.35 172.98 2hde s GLU 15 N 1.81 2.53 -0.38 4.03 -6.30 -1.26 -5.08 118.70 114.04 2hde s GLU 15 Ca 0.52 -1.04 -0.28 0.00 -2.50 0.00 0.00 54.97 51.68 2hde s GLU 15 Cb -0.22 -2.67 -0.02 0.00 0.00 0.00 0.00 34.13 31.23 2hde s GLU 15 CO 0.22 -0.39 1.81 -1.25 0.02 0.00 0.00 175.26 175.67 2hde s PRO 16 N 1.23 3.20 0.00 4.30 0.04 -1.26 -4.74 135.00 137.77 2hde s PRO 16 Ca -0.02 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2hde s PRO 16 Cb -0.16 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 30.15 2hde s PRO 16 CO -0.09 -2.03 0.00 0.39 0.04 0.00 0.00 177.00 175.31 2hde n GLU 17 N 8.55 0.00 -2.86 4.56 -0.58 -1.26 -5.02 120.64 124.03 2hde n GLU 17 Ca 0.22 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.55 2hde n GLU 17 Cb 0.48 -0.74 -0.04 0.00 -0.57 0.00 0.00 31.44 30.57 2hde n GLU 17 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2hde s LYS 18 N -1.90 4.25 0.00 3.49 1.02 -1.26 -5.05 119.74 120.28 2hde s LYS 18 Ca 0.00 1.03 0.00 0.00 0.02 0.00 0.00 55.97 57.02 2hde s LYS 18 Cb 0.00 -3.61 0.00 0.00 -0.52 0.00 0.00 37.83 33.70 2hde s LYS 18 CO 0.00 -0.44 0.00 -0.35 -0.92 0.00 0.00 175.35 173.64 2hde n PRO 19 N 5.68 -0.38 -2.31 -1.68 -0.04 -1.26 -4.99 135.00 130.02 2hde n PRO 19 Ca 0.06 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.11 2hde n PRO 19 Cb 0.48 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.91 2hde n PRO 19 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2hde s ILE 20 N -0.82 3.22 -0.82 0.52 1.01 -1.26 -4.88 121.20 118.17 2hde s ILE 20 Ca 0.00 1.15 -0.26 0.00 0.00 0.00 0.00 60.65 61.54 2hde s ILE 20 Cb 0.00 -3.73 -0.14 0.00 0.01 0.00 0.00 42.46 38.60 2hde s ILE 20 CO 0.00 0.24 2.38 1.51 0.00 0.00 0.00 174.94 179.07 2hde s ASP 21 N -0.37 3.88 0.60 3.58 1.47 -1.26 -4.76 116.67 119.81 2hde s ASP 21 Ca 0.49 -0.05 0.27 0.00 1.18 0.00 0.00 52.55 54.44 2hde s ASP 21 Cb -0.35 -2.55 1.16 0.00 -0.34 0.00 0.00 42.92 40.84 2hde s ASP 21 CO 0.43 -3.93 1.57 0.03 0.68 0.00 0.00 175.17 173.95 2hde h ARG 22 N 12.55 0.00 0.00 2.11 3.08 -1.90 0.76 114.38 130.99 2hde h ARG 22 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2hde h ARG 22 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.05 2hde h ARG 22 CO 1.01 0.00 -1.51 -1.91 -1.07 0.00 0.00 179.97 176.50 2hde n GLU 23 N -3.40 0.35 -0.90 0.04 4.07 -1.26 -4.45 120.64 115.10 2hde n GLU 23 Ca 0.15 -0.10 0.05 0.00 -0.06 0.00 0.00 57.16 57.21 2hde n GLU 23 Cb 1.11 -1.52 0.14 0.00 -0.06 0.00 0.00 31.44 31.12 2hde n GLU 23 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2hde n LYS 24 N -1.91 1.02 -3.24 5.31 0.00 0.24 -5.07 118.16 114.50 2hde n LYS 24 Ca -0.00 -2.82 -0.23 0.00 0.00 0.00 0.00 58.31 55.26 2hde n LYS 24 Cb 0.46 -1.05 -0.00 0.00 0.00 0.00 0.00 35.03 34.44 2hde n LYS 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2hde s THR 25 N -2.08 4.47 0.12 3.15 2.01 0.47 -4.82 115.64 118.95 2hde s THR 25 Ca 0.36 -0.58 -0.09 0.00 0.31 0.00 0.00 61.69 61.69 2hde s THR 25 Cb 0.37 -3.63 -0.06 0.00 0.01 0.00 0.00 72.50 69.19 2hde s THR 25 CO -0.10 -0.39 0.44 -0.44 -0.69 0.00 0.00 174.62 173.44 2hde s SER 26 N -4.13 6.63 0.35 3.53 0.01 -1.26 -4.99 113.70 113.84 2hde s SER 26 Ca 0.44 0.81 -0.24 0.00 1.31 0.00 0.00 55.95 58.27 2hde s SER 26 Cb -0.10 -2.18 -0.10 0.00 0.21 0.00 0.00 66.02 63.85 2hde s SER 26 CO 0.36 0.10 0.94 -2.16 0.41 0.00 0.00 173.24 172.88 2hde s PRO 27 N -2.21 4.48 0.21 12.44 0.04 -1.26 -4.28 135.00 144.43 2hde s PRO 27 Ca 0.37 1.25 0.07 0.00 0.04 0.00 0.00 61.00 62.74 2hde s PRO 27 Cb -0.13 -2.65 -0.05 0.00 0.04 0.00 0.00 34.50 31.71 2hde s PRO 27 CO 0.20 0.21 -0.11 -0.48 0.04 0.00 0.00 177.00 176.86 2hde s LEU 28 N -2.33 2.51 -0.29 -3.56 0.05 0.13 -4.87 118.68 110.32 2hde s LEU 28 Ca 0.53 -1.07 -0.13 0.00 0.05 0.00 0.00 54.13 53.51 2hde s LEU 28 Cb -0.16 -0.59 -0.04 0.00 -2.05 0.00 0.00 46.19 43.35 2hde s LEU 28 CO 0.21 -0.25 0.29 -0.22 -0.55 0.00 0.00 176.35 175.83 2hde s LEU 29 N -3.32 4.12 0.10 1.48 2.96 -1.26 -2.11 118.68 120.64 2hde s LEU 29 Ca 0.24 0.05 0.06 0.00 -0.22 0.00 0.00 54.13 54.26 2hde s LEU 29 Cb 0.01 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 2hde s LEU 29 CO 0.07 -0.16 -0.16 -1.48 -1.32 0.00 0.00 176.35 173.30 2hde s LEU 30 N 1.92 2.32 -0.19 -0.68 0.05 -1.10 -4.41 118.68 116.59 2hde s LEU 30 Ca 0.11 -0.69 -0.10 0.00 0.05 0.00 0.00 54.13 53.49 2hde s LEU 30 Cb -0.16 -0.65 -0.05 0.00 -2.05 0.00 0.00 46.19 43.28 2hde s LEU 30 CO 0.11 -0.05 0.15 0.00 -0.55 0.00 0.00 176.35 176.01 2hde s ARG 31 N -2.05 4.11 -0.02 1.48 1.70 -1.26 -2.22 118.95 120.70 2hde s ARG 31 Ca 0.04 -0.18 0.04 0.00 -0.47 0.00 0.00 55.73 55.16 2hde s ARG 31 Cb -0.09 -3.39 -0.01 0.00 -0.57 0.00 0.00 34.95 30.89 2hde s ARG 31 CO 0.03 0.35 -0.12 0.14 -1.08 0.00 0.00 175.30 174.62 2hde s VAL 32 N 0.20 1.00 -0.45 4.99 -7.23 -0.73 -2.83 120.40 115.35 2hde s VAL 32 Ca 0.10 -0.52 -0.09 0.00 -1.81 0.00 0.00 61.98 59.66 2hde s VAL 32 Cb -0.11 -0.85 0.11 0.00 0.56 0.00 0.00 36.38 36.09 2hde s VAL 32 CO -0.01 0.29 0.32 -0.36 -0.31 0.00 0.00 175.10 175.03 2hde s PHE 33 N -0.16 3.42 -0.25 2.82 0.40 -0.77 0.13 117.98 123.57 2hde s PHE 33 Ca 0.02 -1.84 -0.09 0.00 -0.60 0.00 0.00 56.93 54.42 2hde s PHE 33 Cb -0.06 -3.36 -0.04 0.00 0.51 0.00 0.00 43.02 40.07 2hde s PHE 33 CO -0.00 -0.96 0.13 0.95 0.70 0.00 0.00 175.22 176.04 2hde s THR 34 N 1.36 4.94 0.35 0.64 -4.23 -1.01 -1.39 115.64 116.30 2hde s THR 34 Ca 0.05 0.04 0.07 0.00 -1.18 0.00 0.00 61.69 60.67 2hde s THR 34 Cb -0.25 -3.32 -0.01 0.00 1.34 0.00 0.00 72.50 70.26 2hde s THR 34 CO -0.00 0.32 0.49 0.28 -0.54 0.00 0.00 174.62 175.16 2hde s THR 35 N 1.46 3.81 -0.25 3.99 -1.32 -1.07 -4.70 115.64 117.55 2hde s THR 35 Ca 0.06 -1.01 0.13 0.00 -1.21 0.00 0.00 61.69 59.66 2hde s THR 35 Cb -0.15 -3.31 0.61 0.00 -1.51 0.00 0.00 72.50 68.14 2hde s THR 35 CO 0.07 -0.12 1.57 -3.20 -2.21 0.00 0.00 174.62 170.72 2hde n ASN 36 N -1.68 3.96 0.00 8.08 5.15 -1.26 -2.20 115.26 127.32 2hde n ASN 36 Ca 0.02 -3.24 0.00 0.00 -0.60 0.00 0.00 54.58 50.75 2hde n ASN 36 Cb 0.58 -0.63 0.00 0.00 -0.53 0.00 0.00 39.78 39.20 2hde n ASN 36 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2hde n ASN 37 N -0.49 0.21 -3.54 1.20 4.13 -0.52 -4.63 115.26 111.62 2hde n ASN 37 Ca 0.30 -1.03 -0.23 0.00 1.68 0.00 0.00 54.58 55.31 2hde n ASN 37 Cb 1.09 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 39.39 2hde n ASN 37 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2hde n GLY 38 N -0.01 -0.83 2.74 7.41 0.00 0.13 -4.76 105.19 109.86 2hde n GLY 38 Ca 0.00 0.40 -0.29 0.00 0.00 0.00 0.00 46.02 46.12 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 -5.45 1.41 -0.03 1.61 0.52 -1.26 -4.87 118.95 110.87 2hde s ARG 39 Ca 0.32 -2.15 0.12 0.00 -0.52 0.00 0.00 55.73 53.51 2hde s ARG 39 Cb -0.08 -2.47 0.41 0.00 0.52 0.00 0.00 34.95 33.33 2hde s ARG 39 CO 0.80 -1.17 1.30 -2.39 0.02 0.00 0.00 175.30 173.87 2hde n HIS 40 N 3.39 0.75 -0.33 -0.53 1.44 -1.26 -4.59 115.22 114.08 2hde n HIS 40 Ca 0.10 -0.33 0.02 0.00 -2.01 0.00 0.00 57.72 55.50 2hde n HIS 40 Cb 0.35 -0.08 0.08 0.00 0.12 0.00 0.00 29.99 30.45 2hde n HIS 40 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2hde n HIS 41 N 0.69 0.16 -3.97 -1.40 1.44 -1.26 -4.70 115.22 106.18 2hde n HIS 41 Ca 0.15 1.08 -0.10 0.00 -2.01 0.00 0.00 57.72 56.85 2hde n HIS 41 Cb 0.48 -0.92 -0.07 0.00 0.12 0.00 0.00 29.99 29.61 2hde n HIS 41 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2hde s ARG 42 N -5.97 1.23 0.45 -1.40 1.81 -1.26 -5.03 118.95 108.78 2hde s ARG 42 Ca -0.13 -1.20 0.21 0.00 -1.72 0.00 0.00 55.73 52.90 2hde s ARG 42 Cb 0.21 0.39 1.07 0.00 -0.45 0.00 0.00 34.95 36.17 2hde s ARG 42 CO 0.66 -0.46 1.93 0.00 -0.68 0.00 0.00 175.30 176.75 2hde h MET 43 N 2.49 0.00 -0.62 3.54 -0.00 -1.87 -2.62 114.93 115.84 2hde h MET 43 Ca -0.31 0.00 0.18 0.00 -0.00 0.00 0.00 59.70 59.57 2hde h MET 43 Cb 1.23 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.81 2hde h MET 43 CO 0.46 0.24 0.59 -0.44 -0.00 0.00 0.00 176.91 177.75 2hde h ASP 44 N 0.00 0.00 0.64 -0.10 3.32 -1.96 0.97 116.42 119.29 2hde h ASP 44 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2hde h ASP 44 Cb 0.54 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 2hde h ASP 44 CO 0.03 0.00 -0.14 -0.08 -1.72 0.00 0.00 179.24 177.33 2hde h GLU 45 N 0.00 0.00 -3.09 3.56 4.57 -1.82 -3.41 114.58 114.39 2hde h GLU 45 Ca 0.30 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 58.19 2hde h GLU 45 Cb 1.47 0.00 -0.35 0.00 -0.16 0.00 0.00 28.75 29.71 2hde h GLU 45 CO -0.00 0.14 -0.62 -0.59 -1.18 0.00 0.00 179.01 176.76 2hde s PHE 46 N -3.92 -0.20 0.00 0.92 -0.12 0.34 -5.09 117.98 109.92 2hde s PHE 46 Ca -0.01 0.63 0.00 0.00 -0.05 0.00 0.00 56.93 57.50 2hde s PHE 46 Cb 0.11 -0.22 0.00 0.00 -0.63 0.00 0.00 43.02 42.28 2hde s PHE 46 CO 0.59 -0.27 0.00 -1.13 -0.05 0.00 0.00 175.22 174.37 2hde n SER 47 N 5.20 0.00 0.08 1.98 3.41 -1.26 -4.80 113.62 118.23 2hde n SER 47 Ca -0.07 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.60 2hde n SER 47 Cb 0.50 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.76 2hde n SER 47 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2hde n ARG 48 N 0.00 0.07 0.00 4.33 0.63 -1.26 -4.73 116.66 115.70 2hde n ARG 48 Ca 0.00 0.54 0.00 0.00 -0.92 0.00 0.00 57.85 57.47 2hde n ARG 48 Cb 0.00 -1.72 0.00 0.00 0.45 0.00 0.00 32.46 31.19 2hde n ARG 48 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2hde n GLY 49 N -1.21 0.93 0.22 5.14 0.00 -1.26 -4.98 105.19 104.02 2hde n GLY 49 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 0.82 -3.87 1.61 -0.73 -2.00 -3.45 115.58 107.96 2hde h ASN 50 Ca 0.00 -0.52 -0.47 0.00 1.87 0.00 0.00 56.30 57.18 2hde h ASN 50 Cb 0.00 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.33 2hde h ASN 50 CO 0.00 1.19 0.22 0.68 -0.37 0.00 0.00 177.43 179.15 2hde s VAL 51 N -4.16 4.52 -0.53 2.57 -7.23 -1.26 -4.97 120.40 109.34 2hde s VAL 51 Ca -0.12 1.26 0.26 0.00 -1.81 0.00 0.00 61.98 61.57 2hde s VAL 51 Cb 0.09 -3.65 0.29 0.00 0.56 0.00 0.00 36.38 33.67 2hde s VAL 51 CO 0.85 -0.20 1.76 1.55 -0.31 0.00 0.00 175.10 178.75 2hde h PRO 52 N 2.23 0.00 -0.55 4.82 0.13 -1.95 -3.02 132.00 133.66 2hde h PRO 52 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2hde h PRO 52 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2hde h PRO 52 CO 0.63 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.83 2hde n SER 53 N -2.40 4.99 0.00 1.44 7.64 -1.26 -4.70 113.62 119.33 2hde n SER 53 Ca 0.04 -2.71 0.00 0.00 1.01 0.00 0.00 58.87 57.20 2hde n SER 53 Cb 0.35 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 2hde n SER 53 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2hde n SER 54 N 0.66 0.00 -4.74 6.43 7.64 -1.14 -4.57 113.62 117.90 2hde n SER 54 Ca 0.26 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.74 2hde n SER 54 Cb 1.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 64.15 2hde n SER 54 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2hde s GLU 55 N 0.00 4.48 0.10 1.43 -1.05 -1.25 -2.40 118.70 120.01 2hde s GLU 55 Ca 0.00 1.03 0.08 0.00 -0.15 0.00 0.00 54.97 55.93 2hde s GLU 55 Cb 0.00 -3.37 -0.03 0.00 -0.44 0.00 0.00 34.13 30.29 2hde s GLU 55 CO 0.00 0.28 -0.19 -0.48 0.95 0.00 0.00 175.26 175.81 2hde s LEU 56 N -0.02 2.30 -0.05 1.83 2.34 0.12 -4.88 118.68 120.33 2hde s LEU 56 Ca 0.38 -0.68 -0.19 0.00 0.06 0.00 0.00 54.13 53.70 2hde s LEU 56 Cb -0.20 -0.81 -0.05 0.00 -0.56 0.00 0.00 46.19 44.57 2hde s LEU 56 CO 0.22 0.03 0.51 -1.10 -1.06 0.00 0.00 176.35 174.95 2hde s GLN 57 N -1.92 4.25 -0.10 1.48 -1.52 -1.26 -1.78 119.66 118.81 2hde s GLN 57 Ca 0.05 0.56 0.02 0.00 -1.95 0.00 0.00 55.36 54.05 2hde s GLN 57 Cb -0.10 -3.36 0.01 0.00 -0.22 0.00 0.00 33.01 29.35 2hde s GLN 57 CO 0.04 0.35 -0.17 0.42 -0.25 0.00 0.00 175.29 175.68 2hde s ILE 58 N -0.04 1.57 -1.19 1.08 1.01 -0.94 -4.96 121.20 117.73 2hde s ILE 58 Ca 0.28 -0.70 -0.13 0.00 0.00 0.00 0.00 60.65 60.10 2hde s ILE 58 Cb -0.17 -1.42 0.19 0.00 0.01 0.00 0.00 42.46 41.08 2hde s ILE 58 CO 0.14 0.45 1.37 -0.31 0.00 0.00 0.00 174.94 176.59 2hde s TYR 59 N 0.85 3.67 0.26 3.97 2.02 -1.25 -2.71 117.35 124.17 2hde s TYR 59 Ca -0.09 -2.27 0.11 0.00 -0.37 0.00 0.00 57.07 54.45 2hde s TYR 59 Cb -0.15 -4.21 -0.05 0.00 -0.40 0.00 0.00 41.96 37.14 2hde s TYR 59 CO 0.00 -1.30 -0.10 -0.08 -1.57 0.00 0.00 175.55 172.50 2hde s THR 60 N 0.96 2.98 -0.11 -0.71 -1.32 -0.90 -4.65 115.64 111.88 2hde s THR 60 Ca 0.40 -2.11 -0.01 0.00 -1.21 0.00 0.00 61.69 58.76 2hde s THR 60 Cb -0.04 -2.57 -0.03 0.00 -1.51 0.00 0.00 72.50 68.35 2hde s THR 60 CO -0.02 -0.36 -0.06 -1.66 -2.21 0.00 0.00 174.62 170.31 2hde s TRP 61 N -2.34 2.96 0.23 9.09 -2.14 -1.26 0.23 118.94 125.71 2hde s TRP 61 Ca 0.30 -0.21 0.19 0.00 2.66 0.00 0.00 56.10 59.03 2hde s TRP 61 Cb -0.06 -1.84 0.77 0.00 -3.10 0.00 0.00 33.47 29.24 2hde s TRP 61 CO 0.17 0.10 0.77 -1.33 -2.66 0.00 0.00 176.95 174.00 2hde n MET 62 N 2.98 -0.01 -1.16 3.25 2.81 -1.26 0.30 117.12 124.03 2hde n MET 62 Ca -0.18 0.60 -0.21 0.00 -1.81 0.00 0.00 57.70 56.10 2hde n MET 62 Cb 0.53 -1.23 0.18 0.00 -0.71 0.00 0.00 33.22 31.99 2hde n MET 62 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2hde n ASP 63 N -3.46 3.62 -4.80 7.83 9.92 -1.26 -2.03 116.55 126.37 2hde n ASP 63 Ca 0.21 -3.65 -0.36 0.00 -0.53 0.00 0.00 54.79 50.45 2hde n ASP 63 Cb 0.84 -0.80 -0.06 0.00 -0.64 0.00 0.00 41.12 40.45 2hde n ASP 63 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2hde s ALA 64 N -3.31 3.31 0.41 2.24 0.00 0.89 -4.51 121.76 120.79 2hde s ALA 64 Ca 0.55 0.32 -0.13 0.00 0.00 0.00 0.00 51.96 52.70 2hde s ALA 64 Cb 0.47 -2.98 -0.07 0.00 0.00 0.00 0.00 23.12 20.53 2hde s ALA 64 CO 0.08 0.26 0.81 0.95 0.00 0.00 0.00 175.76 177.86 2hde s THR 65 N -1.59 4.71 0.56 0.00 -4.23 -1.26 0.26 115.64 114.09 2hde s THR 65 Ca 0.47 0.82 0.30 0.00 -1.18 0.00 0.00 61.69 62.09 2hde s THR 65 Cb -0.17 -3.70 0.43 0.00 1.34 0.00 0.00 72.50 70.40 2hde s THR 65 CO 0.22 -0.48 1.90 -0.07 -0.54 0.00 0.00 174.62 175.65 2hde h LEU 66 N 1.42 0.00 -0.16 4.79 3.38 0.15 0.42 115.31 125.30 2hde h LEU 66 Ca -0.47 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 2hde h LEU 66 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2hde h LEU 66 CO 0.64 0.00 0.01 0.50 0.09 0.00 0.00 178.44 179.68 2hde h LYS 67 N 0.00 0.28 -0.98 1.13 3.11 -1.59 -2.31 116.57 116.22 2hde h LYS 67 Ca 0.33 -0.08 0.12 0.00 -2.81 0.00 0.00 60.65 58.20 2hde h LYS 67 Cb 1.43 -0.03 -0.08 0.00 -1.00 0.00 0.00 32.23 32.55 2hde h LYS 67 CO -0.00 0.47 0.61 0.93 -2.81 0.00 0.00 179.45 178.65 2hde h GLU 68 N 0.05 0.93 0.00 1.90 3.07 -1.21 0.86 114.58 120.17 2hde h GLU 68 Ca 0.05 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 58.76 2hde h GLU 68 Cb 0.34 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 2hde h GLU 68 CO 0.01 0.61 -0.43 -0.07 -1.40 0.00 0.00 179.01 177.73 2hde h LEU 69 N 0.96 0.00 -1.33 1.33 -0.00 -1.37 -2.42 115.31 112.47 2hde h LEU 69 Ca 0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.34 2hde h LEU 69 Cb 0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.12 2hde h LEU 69 CO -0.27 0.43 0.18 0.74 -0.00 0.00 0.00 178.44 179.52 2hde h THR 70 N 0.00 1.17 0.10 0.22 2.02 -0.26 -2.30 112.91 113.87 2hde h THR 70 Ca -0.00 -0.52 -0.22 0.00 0.77 0.00 0.00 66.41 66.44 2hde h THR 70 Cb 0.79 0.63 0.02 0.00 -1.74 0.00 0.00 68.15 67.86 2hde h THR 70 CO 0.06 0.20 -0.92 -1.28 0.37 0.00 0.00 175.52 173.95 2hde h SER 71 N 0.64 0.63 -0.89 4.18 0.87 -1.16 -2.94 113.55 114.88 2hde h SER 71 Ca 0.16 -0.86 0.13 0.00 -1.23 0.00 0.00 61.79 59.99 2hde h SER 71 Cb 0.12 -0.20 -0.09 0.00 -0.44 0.00 0.00 62.40 61.80 2hde h SER 71 CO -0.02 1.43 0.50 -0.07 -0.53 0.00 0.00 176.83 178.15 2hde h LEU 72 N -0.07 0.68 -0.28 2.23 3.38 -1.19 -0.62 115.31 119.44 2hde h LEU 72 Ca -0.14 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 2hde h LEU 72 Cb 1.66 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 2hde h LEU 72 CO 0.18 0.34 -0.09 0.58 0.09 0.00 0.00 178.44 179.54 2hde h VAL 73 N 0.77 1.29 -0.61 1.22 2.07 -1.50 -2.63 116.25 116.85 2hde h VAL 73 Ca 0.46 -1.13 0.15 0.00 0.82 0.00 0.00 66.70 67.00 2hde h VAL 73 Cb 0.54 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 2hde h VAL 73 CO -0.30 0.36 0.43 0.11 0.02 0.00 0.00 177.57 178.18 2hde h LYS 74 N 0.31 0.13 0.00 1.57 6.56 -0.97 0.78 116.57 124.93 2hde h LYS 74 Ca 0.07 -0.01 -0.16 0.00 -1.06 0.00 0.00 60.65 59.49 2hde h LYS 74 Cb 0.58 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.18 2hde h LYS 74 CO 0.03 0.08 -0.78 0.93 -2.06 0.00 0.00 179.45 177.66 2hde h GLU 75 N 0.13 0.00 -0.17 3.15 4.39 -0.91 -3.18 114.58 117.99 2hde h GLU 75 Ca 0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.99 2hde h GLU 75 Cb 0.98 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 2hde h GLU 75 CO -0.04 0.78 0.00 1.33 -1.16 0.00 0.00 179.01 179.92 2hde n VAL 76 N -3.49 0.20 -3.42 3.13 0.24 0.71 -4.84 118.33 110.86 2hde n VAL 76 Ca -0.00 -0.60 -0.11 0.00 -2.04 0.00 0.00 64.34 61.58 2hde n VAL 76 Cb 0.78 1.29 -0.10 0.00 -1.47 0.00 0.00 33.84 34.35 2hde n VAL 76 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2hde s TYR 77 N -1.77 -0.67 0.12 6.34 6.14 0.24 -5.04 117.35 122.70 2hde s TYR 77 Ca 0.32 0.75 -0.14 0.00 0.64 0.00 0.00 57.07 58.64 2hde s TYR 77 Cb 0.21 -0.05 -0.05 0.00 0.42 0.00 0.00 41.96 42.49 2hde s TYR 77 CO 0.30 -0.65 1.48 -1.35 0.64 0.00 0.00 175.55 175.97 2hde h PRO 78 N 8.22 0.77 -0.04 4.97 0.11 -1.85 -2.99 132.00 141.18 2hde h PRO 78 Ca -0.18 -0.34 0.01 0.00 0.11 0.00 0.00 66.00 65.59 2hde h PRO 78 Cb 1.15 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2hde h PRO 78 CO 0.26 0.96 0.06 0.93 -0.21 0.00 0.00 178.00 180.00 2hde h GLU 79 N 0.55 0.00 0.09 1.05 4.39 -1.96 -1.56 114.58 117.14 2hde h GLU 79 Ca 0.08 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.52 2hde h GLU 79 Cb 0.75 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 2hde h GLU 79 CO 0.06 0.00 -1.14 0.00 -1.16 0.00 0.00 179.01 176.77 2hde h ALA 80 N 1.93 0.19 -0.26 3.43 0.00 -1.87 -3.25 119.26 119.43 2hde h ALA 80 Ca 0.02 -0.82 0.07 0.00 0.00 0.00 0.00 54.91 54.18 2hde h ALA 80 Cb 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2hde h ALA 80 CO -0.00 0.91 0.46 0.00 0.00 0.00 0.00 179.25 180.62 2hde h ARG 81 N 0.13 0.00 -6.65 0.00 2.47 -1.26 -3.42 114.38 105.64 2hde h ARG 81 Ca -0.12 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.05 2hde h ARG 81 Cb 1.83 0.00 0.07 0.00 -1.65 0.00 0.00 29.97 30.23 2hde h ARG 81 CO 0.19 0.00 0.81 1.63 0.56 0.00 0.00 179.97 183.16 2hde n LYS 82 N -3.31 2.41 -2.13 0.04 5.02 -1.23 -4.93 118.16 114.04 2hde n LYS 82 Ca 0.04 0.86 -0.39 0.00 -2.02 0.00 0.00 58.31 56.80 2hde n LYS 82 Cb 0.59 -2.62 -0.01 0.00 -0.02 0.00 0.00 35.03 32.97 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 0.08 4.00 0.00 1.97 2.20 -1.26 -2.93 119.74 123.79 2hde s LYS 83 Ca 0.70 2.06 0.00 0.00 -0.36 0.00 0.00 55.97 58.37 2hde s LYS 83 Cb -0.58 -2.74 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 2hde s LYS 83 CO 0.44 -0.44 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 2hde n GLY 84 N 0.68 0.74 3.64 5.54 0.00 -1.26 -4.70 105.19 109.83 2hde n GLY 84 Ca 0.04 0.00 -0.43 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 -2.94 3.86 -0.35 2.61 2.01 -1.15 -3.91 115.64 115.77 2hde s THR 85 Ca 0.00 1.00 -0.15 0.00 0.31 0.00 0.00 61.69 62.84 2hde s THR 85 Cb 0.00 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 2hde s THR 85 CO 0.00 -0.25 0.38 -2.28 -0.69 0.00 0.00 174.62 171.78 2hde s HIS 86 N 4.51 3.21 -0.10 4.92 2.46 -0.81 -2.49 115.29 126.99 2hde s HIS 86 Ca 0.66 -0.03 0.03 0.00 0.47 0.00 0.00 55.06 56.19 2hde s HIS 86 Cb -0.25 -2.70 0.01 0.00 -0.13 0.00 0.00 32.58 29.52 2hde s HIS 86 CO 0.25 -0.45 -0.19 -0.59 -2.47 0.00 0.00 174.74 171.29 2hde s PHE 87 N 2.05 2.18 -0.14 3.88 -0.12 -0.98 0.22 117.98 125.07 2hde s PHE 87 Ca 0.12 -0.94 -0.05 0.00 -0.05 0.00 0.00 56.93 56.02 2hde s PHE 87 Cb -0.16 -1.51 -0.04 0.00 -0.63 0.00 0.00 43.02 40.68 2hde s PHE 87 CO 0.12 -0.42 0.04 1.21 -0.05 0.00 0.00 175.22 176.12 2hde s ASN 88 N 0.62 5.51 -0.13 1.98 3.84 -0.65 -0.43 114.94 125.66 2hde s ASN 88 Ca -0.14 0.13 -0.10 0.00 0.21 0.00 0.00 52.86 52.97 2hde s ASN 88 Cb -0.16 -1.79 -0.05 0.00 -0.55 0.00 0.00 41.25 38.70 2hde s ASN 88 CO 0.04 0.28 0.19 -0.36 -2.79 0.00 0.00 177.10 174.46 2hde s PHE 89 N -0.25 3.54 0.12 0.43 0.40 0.13 -0.47 117.98 121.88 2hde s PHE 89 Ca 0.07 0.54 -0.04 0.00 -0.60 0.00 0.00 56.93 56.90 2hde s PHE 89 Cb -0.12 -2.10 -0.03 0.00 0.51 0.00 0.00 43.02 41.28 2hde s PHE 89 CO 0.02 0.53 0.12 0.00 0.70 0.00 0.00 175.22 176.58 2hde s ALA 90 N -0.42 0.46 -0.33 5.36 0.00 -0.92 -0.45 121.76 125.46 2hde s ALA 90 Ca 0.14 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 50.88 2hde s ALA 90 Cb -0.12 0.75 0.05 0.00 0.00 0.00 0.00 23.12 23.79 2hde s ALA 90 CO 0.03 -0.52 0.07 -1.50 0.00 0.00 0.00 175.76 173.85 2hde s ILE 91 N -3.99 3.41 0.13 0.00 -1.16 0.53 0.07 121.20 120.18 2hde s ILE 91 Ca 0.18 -1.34 0.02 0.00 -0.51 0.00 0.00 60.65 59.00 2hde s ILE 91 Cb 0.06 -2.98 -0.04 0.00 0.61 0.00 0.00 42.46 40.10 2hde s ILE 91 CO -0.02 -0.21 -0.03 0.54 -2.81 0.00 0.00 174.94 172.42 2hde s VAL 92 N 1.31 0.66 0.12 4.00 0.11 -1.03 -2.83 120.40 122.73 2hde s VAL 92 Ca -0.02 -1.95 0.08 0.00 -2.93 0.00 0.00 61.98 57.16 2hde s VAL 92 Cb -0.20 -1.88 -0.04 0.00 -1.53 0.00 0.00 36.38 32.74 2hde s VAL 92 CO 0.00 -0.69 -0.20 0.72 -3.33 0.00 0.00 175.10 171.61 2hde s PHE 93 N -3.66 1.76 1.17 1.54 -0.12 -1.26 -4.60 117.98 112.81 2hde s PHE 93 Ca 0.17 -0.44 -0.14 0.00 -0.05 0.00 0.00 56.93 56.47 2hde s PHE 93 Cb 0.06 -0.94 0.25 0.00 -0.63 0.00 0.00 43.02 41.76 2hde s PHE 93 CO -0.01 0.23 0.78 0.25 -0.05 0.00 0.00 175.22 176.42 2hde n THR 94 N 0.83 0.00 -2.28 -4.49 -2.24 -1.26 -4.84 114.28 100.00 2hde n THR 94 Ca -0.18 -0.42 -0.41 0.00 -2.27 0.00 0.00 64.05 60.77 2hde n THR 94 Cb 0.55 -0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 67.84 2hde n THR 94 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2hde s ASP 95 N -2.26 6.98 0.00 3.42 -4.77 -1.26 -5.01 116.67 113.76 2hde s ASP 95 Ca 0.66 2.34 0.00 0.00 -3.30 0.00 0.00 52.55 52.24 2hde s ASP 95 Cb -0.22 -2.61 0.00 0.00 -1.09 0.00 0.00 42.92 39.00 2hde s ASP 95 CO 0.66 -0.46 0.00 0.55 0.70 0.00 0.00 175.17 176.62 2hde n VAL 96 N 2.51 0.00 -0.07 2.11 3.14 -1.26 -5.07 118.33 119.69 2hde n VAL 96 Ca 0.05 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.29 2hde n VAL 96 Cb 0.44 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 33.10 2hde n VAL 96 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 2hde h LYS 97 N 0.00 0.00 -6.51 1.45 6.56 -2.05 -3.45 116.57 112.57 2hde h LYS 97 Ca 0.00 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.06 2hde h LYS 97 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 2hde h LYS 97 CO 0.00 0.88 0.45 -0.98 -2.06 0.00 0.00 179.45 177.74 2hde s ARG 98 N -2.18 4.55 0.00 3.15 3.03 -1.26 -5.02 118.95 121.22 2hde s ARG 98 Ca -0.19 1.60 0.00 0.00 2.03 0.00 0.00 55.73 59.17 2hde s ARG 98 Cb -0.01 -3.37 0.00 0.00 -1.03 0.00 0.00 34.95 30.54 2hde s ARG 98 CO 0.60 -0.05 0.16 -2.30 -1.13 0.00 0.00 175.30 172.58 2hde n PRO 99 N 3.42 0.00 -1.50 3.89 -0.02 -1.26 -4.83 135.00 134.69 2hde n PRO 99 Ca 0.06 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.36 2hde n PRO 99 Cb 0.48 -0.66 -0.07 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 -0.15 1.65 3.50 -1.23 0.00 -1.26 -4.82 105.19 102.88 2hde n GLY 100 Ca 0.00 -0.02 -0.62 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.34 1.50 -2.49 1.61 4.01 -1.26 -4.80 117.16 113.38 2hde n TYR 101 Ca -0.17 0.87 0.01 0.00 -0.16 0.00 0.00 57.90 58.45 2hde n TYR 101 Cb 0.65 -2.29 0.02 0.00 -0.31 0.00 0.00 39.34 37.40 2hde n TYR 101 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2hde n ARG 102 N 5.99 0.47 -2.70 -0.72 5.12 -1.26 -5.09 116.66 118.47 2hde n ARG 102 Ca 0.42 -2.09 -0.43 0.00 -1.93 0.00 0.00 57.85 53.83 2hde n ARG 102 Cb -0.02 -0.22 -0.02 0.00 -1.16 0.00 0.00 32.46 31.03 2hde n ARG 102 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2hde s VAL 103 N -0.80 4.72 0.04 1.55 0.11 -1.25 -4.75 120.40 120.02 2hde s VAL 103 Ca 0.25 1.96 -0.25 0.00 -2.93 0.00 0.00 61.98 61.01 2hde s VAL 103 Cb 0.31 -4.28 0.06 0.00 -1.53 0.00 0.00 36.38 30.94 2hde s VAL 103 CO -0.11 -0.13 0.59 -0.75 -3.33 0.00 0.00 175.10 171.37 2hde s LYS 104 N 2.92 1.10 0.21 1.54 2.47 -1.13 -4.97 119.74 121.87 2hde s LYS 104 Ca 0.43 -0.13 -0.12 0.00 -1.56 0.00 0.00 55.97 54.59 2hde s LYS 104 Cb -0.16 0.51 -0.07 0.00 -1.46 0.00 0.00 37.83 36.65 2hde s LYS 104 CO 0.08 -0.40 0.56 -1.21 0.16 0.00 0.00 175.35 174.54 2hde s GLU 105 N -2.34 3.88 -0.03 4.03 8.01 -1.26 -0.35 118.70 130.63 2hde s GLU 105 Ca -0.06 0.38 0.10 0.00 0.01 0.00 0.00 54.97 55.40 2hde s GLU 105 Cb -0.01 -2.73 -0.15 0.00 -4.31 0.00 0.00 34.13 26.93 2hde s GLU 105 CO -0.01 0.36 0.19 0.44 0.01 0.00 0.00 175.26 176.25 2hde n ILE 106 N 0.17 0.14 0.00 -1.63 -6.64 0.40 -4.93 119.36 106.88 2hde n ILE 106 Ca -0.01 -0.27 0.00 0.00 -1.77 0.00 0.00 62.75 60.69 2hde n ILE 106 Cb 0.52 0.05 0.00 0.00 -1.44 0.00 0.00 39.64 38.77 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 2.02 1.98 3.18 3.28 0.00 -1.18 -5.03 105.19 109.44 2hde n GLY 107 Ca -0.05 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 2hde n GLY 107 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2hde s SER 108 N 0.00 2.38 0.00 1.61 0.15 -1.26 0.19 113.70 116.77 2hde s SER 108 Ca 0.00 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.26 2hde s SER 108 Cb 0.00 -0.56 0.00 0.00 -1.71 0.00 0.00 66.02 63.75 2hde s SER 108 CO 0.00 0.19 0.00 0.35 1.20 0.00 0.00 173.24 174.98 2hde n THR 109 N 2.97 0.00 -3.73 6.45 -2.24 0.42 -4.61 114.28 113.54 2hde n THR 109 Ca -0.17 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.51 2hde n THR 109 Cb 0.53 -0.59 -0.05 0.00 -2.10 0.00 0.00 70.33 68.12 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 -1.57 1.11 -1.09 -0.78 -1.94 -1.26 -2.32 119.30 111.45 2hde s MET 110 Ca 0.00 -0.84 -0.22 0.00 -1.71 0.00 0.00 55.69 52.92 2hde s MET 110 Cb 0.00 0.45 -0.02 0.00 2.01 0.00 0.00 34.83 37.27 2hde s MET 110 CO 0.00 -0.43 1.81 -1.12 -0.01 0.00 0.00 175.02 175.27 2hde s SER 111 N -2.85 5.68 0.00 3.03 0.01 -1.04 -3.19 113.70 115.34 2hde s SER 111 Ca 0.06 -1.46 0.00 0.00 1.31 0.00 0.00 55.95 55.86 2hde s SER 111 Cb 0.02 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2hde s SER 111 CO -0.08 -2.33 0.00 0.61 0.41 0.00 0.00 173.24 171.85 2hde n GLY 112 N 6.27 0.70 3.02 3.44 0.00 -1.26 -4.06 105.19 113.29 2hde n GLY 112 Ca 0.42 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.83 1.91 -0.86 1.61 3.52 -1.19 -5.05 118.95 117.06 2hde s ARG 113 Ca 0.00 -1.34 -0.25 0.00 -0.13 0.00 0.00 55.73 54.01 2hde s ARG 113 Cb 0.00 -2.84 -0.06 0.00 -1.56 0.00 0.00 34.95 30.49 2hde s ARG 113 CO 0.00 -0.65 2.04 0.21 -0.81 0.00 0.00 175.30 176.09 2hde s LYS 114 N 1.16 2.36 0.00 5.12 2.20 -1.26 -4.08 119.74 125.23 2hde s LYS 114 Ca -0.04 -0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.51 2hde s LYS 114 Cb -0.19 -4.96 0.00 0.00 -1.51 0.00 0.00 37.83 31.16 2hde s LYS 114 CO -0.06 -3.56 0.00 0.41 -0.36 0.00 0.00 175.35 171.77 2hde n GLY 115 N 6.77 -0.78 0.08 5.54 0.00 -1.26 -4.98 105.19 110.55 2hde n GLY 115 Ca 0.40 -1.68 -0.08 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.52 1.17 0.00 2.61 1.35 -1.92 -3.35 112.91 112.26 2hde h THR 116 Ca 0.00 -2.96 -0.17 0.00 -0.55 0.00 0.00 66.41 62.73 2hde h THR 116 Cb 0.00 2.59 -0.03 0.00 -1.73 0.00 0.00 68.15 68.98 2hde h THR 116 CO 0.00 0.68 -1.15 0.44 -0.25 0.00 0.00 175.52 175.24 2hde h ASP 117 N 0.00 0.00 -1.00 5.36 3.32 -1.95 -3.35 116.42 118.80 2hde h ASP 117 Ca -0.19 0.00 0.22 0.00 0.02 0.00 0.00 57.03 57.08 2hde h ASP 117 Cb 1.93 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 41.36 2hde h ASP 117 CO 0.10 0.64 0.60 0.44 -1.72 0.00 0.00 179.24 179.31 2hde h ASP 118 N 0.00 0.74 0.51 6.45 5.19 -1.82 0.86 116.42 128.35 2hde h ASP 118 Ca -0.12 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2hde h ASP 118 Cb 1.59 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 41.09 2hde h ASP 118 CO 0.06 0.19 0.00 -1.54 -3.12 0.00 0.00 179.24 174.84 2hde n SER 119 N -4.82 0.00 -4.86 6.45 3.41 -1.26 -1.73 113.62 110.81 2hde n SER 119 Ca 0.25 0.13 -0.31 0.00 -0.26 0.00 0.00 58.87 58.68 2hde n SER 119 Cb 0.66 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 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 -2.70 3.60 0.15 4.33 0.00 0.30 -4.79 119.30 120.18 2hde s MET 120 Ca 0.18 0.84 0.05 0.00 0.00 0.00 0.00 55.69 56.75 2hde s MET 120 Cb 0.15 -2.08 -0.04 0.00 0.00 0.00 0.00 34.83 32.86 2hde s MET 120 CO 0.35 -0.57 0.12 0.95 0.00 0.00 0.00 175.02 175.88 2hde s THR 121 N -3.01 4.49 0.12 10.11 -4.23 -1.26 0.12 115.64 121.98 2hde s THR 121 Ca 0.57 -1.02 -0.19 0.00 -1.18 0.00 0.00 61.69 59.86 2hde s THR 121 Cb -0.11 -3.27 -0.06 0.00 1.34 0.00 0.00 72.50 70.40 2hde s THR 121 CO 0.48 -0.06 1.75 -0.07 -0.54 0.00 0.00 174.62 176.18 2hde h LEU 122 N 2.59 0.26 -1.55 4.79 3.38 -0.39 -2.34 115.31 122.06 2hde h LEU 122 Ca -0.47 -0.04 0.29 0.00 0.09 0.00 0.00 57.88 57.74 2hde h LEU 122 Cb 1.19 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.80 2hde h LEU 122 CO 0.64 0.23 0.72 0.06 0.09 0.00 0.00 178.44 180.17 2hde h GLN 123 N 0.28 0.26 0.00 1.13 3.07 -1.65 0.91 115.11 119.11 2hde h GLN 123 Ca 0.08 -0.02 -0.03 0.00 0.09 0.00 0.00 58.65 58.77 2hde h GLN 123 Cb 0.01 -0.06 -0.00 0.00 0.08 0.00 0.00 27.48 27.51 2hde h GLN 123 CO -0.02 0.17 -0.14 0.77 0.09 0.00 0.00 178.83 179.70 2hde h SER 124 N 0.27 0.00 -0.79 0.06 0.02 -1.73 -3.20 113.55 108.18 2hde h SER 124 Ca 0.59 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 61.08 2hde h SER 124 Cb 1.74 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 64.10 2hde h SER 124 CO -0.22 0.14 0.54 0.00 -1.14 0.00 0.00 176.83 176.15 2hde n GLN 125 N -3.21 2.16 -2.29 3.45 3.00 0.32 -4.82 117.38 115.99 2hde n GLN 125 Ca 0.01 -2.18 -0.02 0.00 -0.01 0.00 0.00 57.00 54.80 2hde n GLN 125 Cb 0.46 -1.90 -0.00 0.00 0.00 0.00 0.00 30.24 28.80 2hde n GLN 125 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 2hde n LYS 126 N 0.18 -2.61 -3.16 -1.09 2.85 -1.21 -4.89 118.16 108.23 2hde n LYS 126 Ca 0.42 0.11 -0.30 0.00 -1.05 0.00 0.00 58.31 57.49 2hde n LYS 126 Cb 0.57 -4.56 -0.04 0.00 -0.65 0.00 0.00 35.03 30.35 2hde n LYS 126 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 2hde s PHE 127 N -1.98 3.45 0.35 5.58 5.36 -1.17 -5.07 117.98 124.51 2hde s PHE 127 Ca 0.00 0.88 -0.05 0.00 -0.96 0.00 0.00 56.93 56.80 2hde s PHE 127 Cb 0.00 -2.29 0.01 0.00 -0.34 0.00 0.00 43.02 40.40 2hde s PHE 127 CO 0.00 0.08 0.53 -0.65 -1.46 0.00 0.00 175.22 173.72 2hde s GLN 128 N -3.47 1.97 -0.24 10.12 -0.21 -1.26 -4.55 119.66 122.03 2hde s GLN 128 Ca 0.48 -1.70 -0.29 0.00 0.02 0.00 0.00 55.36 53.87 2hde s GLN 128 Cb -0.11 0.48 -0.02 0.00 1.00 0.00 0.00 33.01 34.36 2hde s GLN 128 CO 0.28 -0.84 1.59 0.42 -2.12 0.00 0.00 175.29 174.61 2hde s ILE 129 N -2.93 3.74 0.00 1.08 1.01 -1.26 -2.09 121.20 120.75 2hde s ILE 129 Ca 0.28 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.75 2hde s ILE 129 Cb -0.01 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.70 2hde s ILE 129 CO 0.19 -0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.41 2hde n GLY 130 N 4.66 0.39 3.31 6.18 0.00 -1.26 -5.07 105.19 113.39 2hde n GLY 130 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 2hde n GLY 130 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hde n ASP 131 N 0.00 -3.02 -3.96 1.61 8.00 -0.89 -4.87 116.55 113.42 2hde n ASP 131 Ca 0.00 -0.51 -0.31 0.00 0.71 0.00 0.00 54.79 54.68 2hde n ASP 131 Cb 0.00 -1.08 -0.15 0.00 -0.02 0.00 0.00 41.12 39.86 2hde n ASP 131 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2hde s TYR 132 N -2.23 2.98 -0.09 1.24 -0.85 -1.26 -4.20 117.35 112.94 2hde s TYR 132 Ca 0.65 -2.36 -0.05 0.00 -0.52 0.00 0.00 57.07 54.79 2hde s TYR 132 Cb -0.17 -2.21 -0.04 0.00 0.38 0.00 0.00 41.96 39.91 2hde s TYR 132 CO 0.60 -0.88 0.12 -0.51 -1.52 0.00 0.00 175.55 173.35 2hde s LEU 133 N 1.18 4.20 -0.29 -3.49 1.43 -1.13 -2.47 118.68 118.11 2hde s LEU 133 Ca 0.03 0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.52 2hde s LEU 133 Cb -0.19 -2.12 0.08 0.00 0.03 0.00 0.00 46.19 43.99 2hde s LEU 133 CO -0.10 0.37 -0.01 -0.62 0.23 0.00 0.00 176.35 176.22 2hde s ASP 134 N -1.20 4.35 -0.06 2.29 -1.08 0.11 -1.84 116.67 119.25 2hde s ASP 134 Ca 0.17 -1.66 -0.19 0.00 -0.52 0.00 0.00 52.55 50.36 2hde s ASP 134 Cb -0.12 -1.39 -0.05 0.00 -1.46 0.00 0.00 42.92 39.90 2hde s ASP 134 CO 0.07 -0.30 0.52 -0.63 0.52 0.00 0.00 175.17 175.34 2hde s ILE 135 N 1.17 5.06 -0.47 4.11 1.09 -0.48 -2.17 121.20 129.50 2hde s ILE 135 Ca 0.02 1.06 -0.10 0.00 -1.10 0.00 0.00 60.65 60.52 2hde s ILE 135 Cb -0.19 -3.85 0.11 0.00 -1.06 0.00 0.00 42.46 37.47 2hde s ILE 135 CO -0.09 0.39 0.35 0.00 -0.10 0.00 0.00 174.94 175.50 2hde s ALA 136 N 0.08 3.41 -0.15 9.38 0.00 0.37 -2.61 121.76 132.24 2hde s ALA 136 Ca 0.28 -2.46 -0.22 0.00 0.00 0.00 0.00 51.96 49.55 2hde s ALA 136 Cb -0.17 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 2hde s ALA 136 CO 0.13 -1.87 0.69 0.42 0.00 0.00 0.00 175.76 175.13 2hde s ILE 137 N 1.41 5.00 -0.42 0.00 1.01 -0.94 -1.64 121.20 125.62 2hde s ILE 137 Ca 0.05 1.35 0.02 0.00 0.00 0.00 0.00 60.65 62.07 2hde s ILE 137 Cb -0.26 -4.01 0.12 0.00 0.01 0.00 0.00 42.46 38.32 2hde s ILE 137 CO 0.00 0.14 0.20 -0.89 0.00 0.00 0.00 174.94 174.39 2hde s THR 138 N 1.63 1.68 0.66 2.92 2.01 0.13 0.17 115.64 124.85 2hde s THR 138 Ca 0.33 -2.50 -0.17 0.00 0.31 0.00 0.00 61.69 59.66 2hde s THR 138 Cb -0.16 -2.20 -0.01 0.00 0.01 0.00 0.00 72.50 70.14 2hde s THR 138 CO 0.13 -0.80 1.07 -2.65 -0.69 0.00 0.00 174.62 171.68 2hde n PRO 139 N 3.76 0.81 -1.31 4.92 -0.02 -1.26 -1.92 135.00 139.97 2hde n PRO 139 Ca 0.05 0.33 -0.32 0.00 -2.02 0.00 0.00 63.50 61.55 2hde n PRO 139 Cb 0.36 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 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 -1.65 3.32 -0.08 0.52 -0.04 -1.25 -4.28 135.00 131.53 2hde n PRO 140 Ca 0.14 -2.04 -0.12 0.00 -0.04 0.00 0.00 63.50 61.44 2hde n PRO 140 Cb 0.48 -2.55 -0.15 0.00 -0.04 0.00 0.00 33.50 31.25 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 2.99 0.80 0.00 3.54 0.23 -1.26 -4.75 115.26 116.81 2hde n ASN 141 Ca 0.67 0.07 0.00 0.00 -0.53 0.00 0.00 54.58 54.79 2hde n ASN 141 Cb 0.42 0.31 0.00 0.00 -2.08 0.00 0.00 39.78 38.43 2hde n ASN 141 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 2hde n ARG 142 N -2.99 1.48 -1.69 -3.83 1.85 -1.26 -5.02 116.66 105.21 2hde n ARG 142 Ca -0.33 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.10 2hde n ARG 142 Cb 1.09 -0.77 -0.03 0.00 -1.05 0.00 0.00 32.46 31.71 2hde n ARG 142 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2hde s ALA 143 N -1.53 2.69 1.03 2.89 0.00 -1.26 -4.97 121.76 120.61 2hde s ALA 143 Ca 0.00 0.63 -0.13 0.00 0.00 0.00 0.00 51.96 52.46 2hde s ALA 143 Cb 0.00 -4.08 0.20 0.00 0.00 0.00 0.00 23.12 19.25 2hde s ALA 143 CO 0.00 -2.86 1.09 -1.25 0.00 0.00 0.00 175.76 172.74 2hde s PRO 144 N 6.32 0.20 -0.22 0.00 0.04 -1.26 -4.83 135.00 135.25 2hde s PRO 144 Ca 0.96 0.51 -0.28 0.00 0.04 0.00 0.00 61.00 62.23 2hde s PRO 144 Cb -0.30 -1.71 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 2hde s PRO 144 CO 0.34 -2.89 2.19 -2.14 0.04 0.00 0.00 177.00 174.54 2hde s PRO 145 N -4.93 3.15 0.26 0.56 0.02 -1.26 -4.93 135.00 127.87 2hde s PRO 145 Ca 0.66 2.00 -0.31 0.00 0.02 0.00 0.00 61.00 63.37 2hde s PRO 145 Cb -0.19 -4.36 -0.11 0.00 0.02 0.00 0.00 34.50 29.86 2hde s PRO 145 CO 0.58 -2.08 1.59 -2.14 -0.33 0.00 0.00 177.00 174.62 2hde s PRO 146 N 6.28 4.16 -0.41 5.54 0.02 -1.26 -4.99 135.00 144.34 2hde s PRO 146 Ca 0.99 2.51 0.02 0.00 0.02 0.00 0.00 61.00 64.54 2hde s PRO 146 Cb -0.32 -3.06 0.12 0.00 0.02 0.00 0.00 34.50 31.26 2hde s PRO 146 CO 0.35 -0.62 0.19 -1.12 -0.33 0.00 0.00 177.00 175.48 2hde s SER 147 N 0.67 3.88 0.00 2.53 0.01 -1.26 -5.02 113.70 114.51 2hde s SER 147 Ca 0.65 -2.39 0.00 0.00 1.31 0.00 0.00 55.95 55.52 2hde s SER 147 Cb -0.47 -1.09 0.00 0.00 0.21 0.00 0.00 66.02 64.67 2hde s SER 147 CO 0.42 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.38 2hde n GLY 148 N 3.87 0.63 0.39 3.44 0.00 -1.26 -5.32 105.19 106.93 2hde n GLY 148 Ca 0.06 0.46 0.05 0.00 0.00 0.00 0.00 46.02 46.59 2hde n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86