#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 -0.08 1.03 1.61 1.04 -1.26 -5.18 113.70 110.87 2hde s SER 3 Ca 0.00 -0.90 -0.17 0.00 0.48 0.00 0.00 55.95 55.36 2hde s SER 3 Cb 0.00 0.63 0.23 0.00 0.10 0.00 0.00 66.02 66.98 2hde s SER 3 CO 0.00 -1.21 1.30 -2.28 0.98 0.00 0.00 173.24 172.02 2hde s HIS 4 N -3.88 1.19 0.43 5.02 5.65 -1.26 -5.00 115.29 117.43 2hde s HIS 4 Ca 0.20 0.30 -0.25 0.00 0.25 0.00 0.00 55.06 55.55 2hde s HIS 4 Cb -0.02 -4.06 -0.08 0.00 -1.18 0.00 0.00 32.58 27.24 2hde s HIS 4 CO 0.09 -3.01 1.33 -1.64 -0.65 0.00 0.00 174.74 170.86 2hde s MET 5 N -5.84 3.84 0.79 2.88 1.00 -1.26 -5.02 119.30 115.70 2hde s MET 5 Ca 0.75 2.21 -0.08 0.00 0.00 0.00 0.00 55.69 58.56 2hde s MET 5 Cb -0.04 -2.69 0.12 0.00 0.00 0.00 0.00 34.83 32.23 2hde s MET 5 CO 0.54 -0.61 1.11 1.03 0.00 0.00 0.00 175.02 177.08 2hde s ARG 6 N -2.35 1.54 0.77 2.03 0.52 -1.26 -5.10 118.95 115.10 2hde s ARG 6 Ca 0.59 -0.55 -0.02 0.00 -0.52 0.00 0.00 55.73 55.23 2hde s ARG 6 Cb -0.39 -2.11 0.15 0.00 0.52 0.00 0.00 34.95 33.12 2hde s ARG 6 CO 0.50 -1.68 1.06 0.08 0.02 0.00 0.00 175.30 175.28 2hde s VAL 7 N -3.43 2.04 -0.10 3.52 1.01 -1.26 -5.11 120.40 117.08 2hde s VAL 7 Ca 0.66 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 62.12 2hde s VAL 7 Cb -0.07 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.82 2hde s VAL 7 CO 0.47 0.00 -0.13 0.28 0.00 0.00 0.00 175.10 175.73 2hde s THR 8 N -3.27 1.30 0.71 3.92 -1.32 -1.26 -5.13 115.64 110.59 2hde s THR 8 Ca 0.69 -0.52 -0.11 0.00 -1.21 0.00 0.00 61.69 60.53 2hde s THR 8 Cb -0.04 -1.22 0.02 0.00 -1.51 0.00 0.00 72.50 69.75 2hde s THR 8 CO 0.46 0.40 1.07 -1.10 -2.21 0.00 0.00 174.62 173.25 2hde s GLN 9 N 1.09 2.74 0.19 7.08 -0.21 -1.26 -5.06 119.66 124.22 2hde s GLN 9 Ca -0.05 1.06 0.05 0.00 0.02 0.00 0.00 55.36 56.44 2hde s GLN 9 Cb -0.14 -1.96 -0.04 0.00 1.00 0.00 0.00 33.01 31.87 2hde s GLN 9 CO -0.02 -1.26 0.20 -1.21 -2.12 0.00 0.00 175.29 170.87 2hde s GLU 10 N -4.88 3.06 -0.24 2.91 2.02 -1.26 -5.10 118.70 115.20 2hde s GLU 10 Ca 0.60 -0.84 -0.10 0.00 0.02 0.00 0.00 54.97 54.64 2hde s GLU 10 Cb -0.15 -2.71 -0.05 0.00 0.10 0.00 0.00 34.13 31.32 2hde s GLU 10 CO 0.53 0.47 0.15 -2.00 0.02 0.00 0.00 175.26 174.43 2hde s GLU 11 N -3.35 4.02 -0.38 1.61 2.12 -1.26 -4.97 118.70 116.48 2hde s GLU 11 Ca 0.32 -0.30 0.06 0.00 0.36 0.00 0.00 54.97 55.41 2hde s GLU 11 Cb -0.10 -3.51 0.58 0.00 0.26 0.00 0.00 34.13 31.36 2hde s GLU 11 CO 0.25 0.03 1.70 -0.89 -0.54 0.00 0.00 175.26 175.81 2hde n ILE 12 N 4.38 2.91 -3.26 -3.70 2.08 -1.26 -4.96 119.36 115.56 2hde n ILE 12 Ca -0.15 -2.41 -0.40 0.00 0.56 0.00 0.00 62.75 60.35 2hde n ILE 12 Cb 0.52 -0.44 -0.08 0.00 -0.75 0.00 0.00 39.64 38.89 2hde n ILE 12 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 2hde s LYS 13 N -3.31 4.00 -0.21 0.38 1.02 -1.26 -5.05 119.74 115.31 2hde s LYS 13 Ca 0.51 0.21 -0.07 0.00 0.02 0.00 0.00 55.97 56.65 2hde s LYS 13 Cb 0.45 -3.67 -0.03 0.00 -0.52 0.00 0.00 37.83 34.05 2hde s LYS 13 CO 0.05 -0.38 0.05 0.15 -0.92 0.00 0.00 175.35 174.30 2hde s LYS 14 N 2.29 3.78 0.27 1.68 -0.14 -1.26 -5.07 119.74 121.29 2hde s LYS 14 Ca 0.20 -0.43 0.11 0.00 -1.36 0.00 0.00 55.97 54.49 2hde s LYS 14 Cb -0.16 -3.22 -0.05 0.00 -1.68 0.00 0.00 37.83 32.72 2hde s LYS 14 CO 0.10 0.05 -0.14 -1.83 -0.76 0.00 0.00 175.35 172.77 2hde s GLU 15 N 0.95 1.85 0.58 1.68 -1.05 -1.26 -5.01 118.70 116.45 2hde s GLU 15 Ca 0.03 -1.66 0.33 0.00 -0.15 0.00 0.00 54.97 53.52 2hde s GLU 15 Cb -0.14 -1.88 1.38 0.00 -0.44 0.00 0.00 34.13 33.05 2hde s GLU 15 CO 0.03 0.34 1.66 -1.00 0.95 0.00 0.00 175.26 177.24 2hde h PRO 16 N 2.18 0.00 -4.96 -4.83 0.13 -2.08 -3.36 132.00 119.09 2hde h PRO 16 Ca -0.41 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.07 2hde h PRO 16 Cb 1.26 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.15 2hde h PRO 16 CO 0.60 0.00 -0.64 -1.21 -0.23 0.00 0.00 178.00 176.52 2hde s GLU 17 N -4.69 3.63 -0.31 0.86 2.02 -1.26 -5.06 118.70 113.88 2hde s GLU 17 Ca -0.04 -0.49 -0.29 0.00 0.02 0.00 0.00 54.97 54.17 2hde s GLU 17 Cb 0.19 -3.28 -0.01 0.00 0.10 0.00 0.00 34.13 31.12 2hde s GLU 17 CO 0.64 -0.18 1.56 -1.59 0.02 0.00 0.00 175.26 175.71 2hde s LYS 18 N 1.58 3.63 1.42 1.61 -2.85 -1.26 -5.00 119.74 118.87 2hde s LYS 18 Ca 0.06 1.33 -0.23 0.00 -1.00 0.00 0.00 55.97 56.13 2hde s LYS 18 Cb -0.15 -4.05 0.37 0.00 -2.06 0.00 0.00 37.83 31.94 2hde s LYS 18 CO 0.03 -1.49 0.94 -2.14 0.10 0.00 0.00 175.35 172.79 2hde s PRO 19 N 4.92 -2.93 0.30 1.78 0.02 -1.26 -5.02 135.00 132.81 2hde s PRO 19 Ca 0.68 0.08 -0.07 0.00 0.02 0.00 0.00 61.00 61.71 2hde s PRO 19 Cb -0.20 -1.38 -0.06 0.00 0.02 0.00 0.00 34.50 32.88 2hde s PRO 19 CO 0.30 -4.87 0.59 0.42 -0.33 0.00 0.00 177.00 173.12 2hde s ILE 20 N -2.33 4.96 -0.29 2.83 1.01 -1.26 -5.05 121.20 121.07 2hde s ILE 20 Ca 0.69 0.25 -0.24 0.00 0.00 0.00 0.00 60.65 61.35 2hde s ILE 20 Cb -0.12 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.64 2hde s ILE 20 CO 0.57 -0.30 0.84 -1.81 0.00 0.00 0.00 174.94 174.24 2hde s ASP 21 N -2.98 6.74 0.46 3.58 1.11 -1.26 -4.92 116.67 119.39 2hde s ASP 21 Ca 0.46 0.81 0.33 0.00 0.18 0.00 0.00 52.55 54.32 2hde s ASP 21 Cb -0.11 -2.43 1.46 0.00 1.07 0.00 0.00 42.92 42.91 2hde s ASP 21 CO 0.28 -0.63 1.64 0.03 1.18 0.00 0.00 175.17 177.68 2hde h ARG 22 N 8.00 0.09 0.00 8.23 2.47 -1.97 0.65 114.38 131.85 2hde h ARG 22 Ca -0.23 -0.01 -0.35 0.00 -1.26 0.00 0.00 59.98 58.13 2hde h ARG 22 Cb 1.09 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 29.33 2hde h ARG 22 CO 0.90 0.06 -2.32 0.39 0.56 0.00 0.00 179.97 179.56 2hde n GLU 23 N -4.52 0.57 -0.75 0.04 4.71 -1.26 -4.46 120.64 114.97 2hde n GLU 23 Ca 0.36 0.14 -0.13 0.00 -0.01 0.00 0.00 57.16 57.52 2hde n GLU 23 Cb 1.46 -1.46 0.12 0.00 -1.01 0.00 0.00 31.44 30.55 2hde n GLU 23 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2hde n LYS 24 N -3.24 1.90 -1.97 3.49 5.02 -0.69 -4.95 118.16 117.72 2hde n LYS 24 Ca -0.41 -1.87 -0.29 0.00 -2.02 0.00 0.00 58.31 53.71 2hde n LYS 24 Cb 0.93 -1.75 0.04 0.00 -0.02 0.00 0.00 35.03 34.23 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 -2.05 3.51 -0.16 -0.18 -1.32 0.22 -4.49 115.64 111.16 2hde s THR 25 Ca 0.35 0.39 -0.05 0.00 -1.21 0.00 0.00 61.69 61.17 2hde s THR 25 Cb 0.30 -3.47 -0.03 0.00 -1.51 0.00 0.00 72.50 67.78 2hde s THR 25 CO 0.07 -0.60 0.01 -0.94 -2.21 0.00 0.00 174.62 170.96 2hde s SER 26 N -4.35 5.23 0.25 8.08 1.04 -1.26 -5.02 113.70 117.67 2hde s SER 26 Ca 0.57 -0.00 -0.30 0.00 0.48 0.00 0.00 55.95 56.71 2hde s SER 26 Cb -0.11 -1.84 -0.09 0.00 0.10 0.00 0.00 66.02 64.08 2hde s SER 26 CO 0.51 0.19 1.13 -2.16 0.98 0.00 0.00 173.24 173.89 2hde s PRO 27 N 0.23 4.58 0.06 4.02 0.04 -1.26 -4.53 135.00 138.14 2hde s PRO 27 Ca 0.01 1.83 0.08 0.00 0.04 0.00 0.00 61.00 62.96 2hde s PRO 27 Cb -0.13 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 2hde s PRO 27 CO 0.02 0.10 -0.22 -0.48 0.04 0.00 0.00 177.00 176.46 2hde s LEU 28 N -1.06 2.19 -0.23 -3.56 0.05 0.11 -4.89 118.68 111.29 2hde s LEU 28 Ca 0.47 -0.57 -0.22 0.00 0.05 0.00 0.00 54.13 53.86 2hde s LEU 28 Cb -0.32 -1.04 -0.02 0.00 -2.05 0.00 0.00 46.19 42.76 2hde s LEU 28 CO 0.40 0.17 0.68 -0.22 -0.55 0.00 0.00 176.35 176.83 2hde s LEU 29 N -1.35 4.09 0.20 1.48 2.96 -1.26 -1.72 118.68 123.07 2hde s LEU 29 Ca 0.09 0.83 0.04 0.00 -0.22 0.00 0.00 54.13 54.87 2hde s LEU 29 Cb -0.09 -2.96 -0.05 0.00 0.50 0.00 0.00 46.19 43.59 2hde s LEU 29 CO 0.02 -0.38 -0.04 -1.48 -1.32 0.00 0.00 176.35 173.15 2hde s LEU 30 N 2.42 2.31 -0.04 -0.68 0.05 -1.09 -4.71 118.68 116.94 2hde s LEU 30 Ca 0.29 -1.14 -0.15 0.00 0.05 0.00 0.00 54.13 53.18 2hde s LEU 30 Cb -0.16 -0.28 -0.05 0.00 -2.05 0.00 0.00 46.19 43.65 2hde s LEU 30 CO 0.09 -0.45 0.40 -0.13 -0.55 0.00 0.00 176.35 175.70 2hde s ARG 31 N -3.82 3.99 0.05 1.48 3.00 -1.26 -2.78 118.95 119.61 2hde s ARG 31 Ca 0.24 0.36 0.03 0.00 0.00 0.00 0.00 55.73 56.37 2hde s ARG 31 Cb 0.05 -3.27 -0.03 0.00 0.00 0.00 0.00 34.95 31.70 2hde s ARG 31 CO 0.05 0.58 -0.10 0.14 0.00 0.00 0.00 175.30 175.97 2hde s VAL 32 N -0.68 0.75 -0.29 3.52 -7.23 -0.51 -2.92 120.40 113.02 2hde s VAL 32 Ca 0.23 -1.16 0.03 0.00 -1.81 0.00 0.00 61.98 59.26 2hde s VAL 32 Cb -0.16 -0.78 0.08 0.00 0.56 0.00 0.00 36.38 36.09 2hde s VAL 32 CO 0.12 -0.33 -0.01 -0.36 -0.31 0.00 0.00 175.10 174.20 2hde s PHE 33 N -1.35 3.20 -0.23 2.82 0.40 -0.27 0.24 117.98 122.80 2hde s PHE 33 Ca -0.07 -2.47 -0.07 0.00 -0.60 0.00 0.00 56.93 53.72 2hde s PHE 33 Cb -0.10 -2.28 -0.03 0.00 0.51 0.00 0.00 43.02 41.12 2hde s PHE 33 CO 0.01 -0.89 0.05 0.95 0.70 0.00 0.00 175.22 176.03 2hde s THR 34 N 1.11 4.21 0.29 0.64 -4.23 -0.88 0.32 115.64 117.10 2hde s THR 34 Ca 0.02 -0.21 0.08 0.00 -1.18 0.00 0.00 61.69 60.39 2hde s THR 34 Cb -0.19 -2.95 -0.03 0.00 1.34 0.00 0.00 72.50 70.67 2hde s THR 34 CO -0.08 0.38 0.20 0.28 -0.54 0.00 0.00 174.62 174.85 2hde s THR 35 N 1.34 3.89 -0.33 3.99 -1.32 -1.10 -4.71 115.64 117.39 2hde s THR 35 Ca 0.05 -1.49 0.09 0.00 -1.21 0.00 0.00 61.69 59.13 2hde s THR 35 Cb -0.15 -3.22 0.63 0.00 -1.51 0.00 0.00 72.50 68.25 2hde s THR 35 CO 0.03 -0.28 1.69 -3.20 -2.21 0.00 0.00 174.62 170.65 2hde n ASN 36 N -1.20 3.69 0.00 8.08 4.05 -1.26 -1.80 115.26 126.82 2hde n ASN 36 Ca -0.05 -3.48 0.00 0.00 0.45 0.00 0.00 54.58 51.50 2hde n ASN 36 Cb 0.59 -0.72 0.00 0.00 1.23 0.00 0.00 39.78 40.88 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 -0.79 0.30 -3.62 1.20 5.15 -0.62 -4.43 115.26 112.45 2hde n ASN 37 Ca 0.42 -0.68 -0.24 0.00 -0.60 0.00 0.00 54.58 53.48 2hde n ASN 37 Cb 1.31 0.23 0.04 0.00 -0.53 0.00 0.00 39.78 40.83 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 0.23 -0.68 3.14 8.20 0.00 0.34 -4.69 105.19 111.73 2hde n GLY 38 Ca 0.00 0.32 0.03 0.00 0.00 0.00 0.00 46.02 46.37 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 -5.72 0.57 -0.03 1.61 3.52 -1.26 -4.83 118.95 112.81 2hde s ARG 39 Ca 0.24 0.15 0.11 0.00 -0.13 0.00 0.00 55.73 56.10 2hde s ARG 39 Cb -0.07 0.15 0.37 0.00 -1.56 0.00 0.00 34.95 33.84 2hde s ARG 39 CO 0.82 -0.94 1.26 -2.39 -0.81 0.00 0.00 175.30 173.23 2hde n HIS 40 N 4.87 0.66 -0.40 5.12 1.44 -1.26 -4.46 115.22 121.18 2hde n HIS 40 Ca 0.08 -0.29 0.34 0.00 -2.01 0.00 0.00 57.72 55.84 2hde n HIS 40 Cb 0.56 -0.07 0.61 0.00 0.12 0.00 0.00 29.99 31.21 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 2.25 0.65 -3.23 -1.40 2.07 -2.01 -3.40 115.15 110.07 2hde h HIS 41 Ca 0.00 0.03 -0.42 0.00 -2.85 0.00 0.00 60.37 57.13 2hde h HIS 41 Cb 0.70 -0.16 -0.16 0.00 2.57 0.00 0.00 27.41 30.36 2hde h HIS 41 CO 0.34 -0.26 -0.74 0.50 -3.07 0.00 0.00 177.93 174.69 2hde s ARG 42 N -5.40 1.18 0.24 5.12 6.06 -1.26 -5.04 118.95 119.84 2hde s ARG 42 Ca -0.08 -1.44 0.08 0.00 -2.50 0.00 0.00 55.73 51.79 2hde s ARG 42 Cb 0.31 -0.98 0.23 0.00 0.06 0.00 0.00 34.95 34.56 2hde s ARG 42 CO 0.81 0.17 1.54 0.52 -2.50 0.00 0.00 175.30 175.83 2hde h MET 43 N 2.97 0.06 -0.18 5.12 2.86 -1.91 -3.03 114.93 120.81 2hde h MET 43 Ca -0.39 -0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.26 2hde h MET 43 Cb 1.21 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.87 2hde h MET 43 CO 0.58 0.73 0.30 0.38 1.06 0.00 0.00 176.91 179.95 2hde h ASP 44 N 0.04 0.00 0.07 1.22 3.04 -1.96 0.16 116.42 118.99 2hde h ASP 44 Ca -0.01 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 2hde h ASP 44 Cb 1.23 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.52 2hde h ASP 44 CO 0.09 0.00 0.00 -0.33 -2.04 0.00 0.00 179.24 176.96 2hde h GLU 45 N 0.00 0.00 -3.92 4.15 4.39 -1.87 -3.44 114.58 113.89 2hde h GLU 45 Ca 0.09 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.55 2hde h GLU 45 Cb 0.68 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.27 2hde h GLU 45 CO -0.00 0.00 -0.09 -0.59 -1.16 0.00 0.00 179.01 177.17 2hde s PHE 46 N -4.05 0.92 -0.30 4.33 -0.71 0.54 -4.93 117.98 113.79 2hde s PHE 46 Ca -0.04 -1.24 -0.09 0.00 -1.04 0.00 0.00 56.93 54.53 2hde s PHE 46 Cb 0.12 0.09 0.15 0.00 -1.21 0.00 0.00 43.02 42.17 2hde s PHE 46 CO 0.39 -1.25 0.69 -1.54 -1.34 0.00 0.00 175.22 172.17 2hde s SER 47 N -3.22 -1.12 -0.36 1.98 1.04 -1.26 -4.90 113.70 105.85 2hde s SER 47 Ca 0.28 1.30 -0.29 0.00 0.48 0.00 0.00 55.95 57.71 2hde s SER 47 Cb -0.02 2.18 0.01 0.00 0.10 0.00 0.00 66.02 68.30 2hde s SER 47 CO 0.19 -0.21 1.25 -0.60 0.98 0.00 0.00 173.24 174.85 2hde s ARG 48 N 2.84 3.84 0.00 4.02 3.00 -1.26 -3.05 118.95 128.35 2hde s ARG 48 Ca 0.01 1.03 0.00 0.00 -1.00 0.00 0.00 55.73 55.76 2hde s ARG 48 Cb -0.12 -3.89 0.00 0.00 0.00 0.00 0.00 34.95 30.94 2hde s ARG 48 CO -0.19 -1.22 0.00 0.41 0.00 0.00 0.00 175.30 174.30 2hde n GLY 49 N 4.48 0.64 0.58 8.12 0.00 -1.26 -4.96 105.19 112.80 2hde n GLY 49 Ca 0.14 -0.49 -0.06 0.00 0.00 0.00 0.00 46.02 45.61 2hde n GLY 49 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hde n ASN 50 N 0.90 1.45 -4.46 1.61 3.02 -1.17 -5.06 115.26 111.56 2hde n ASN 50 Ca 0.00 0.22 -0.30 0.00 -0.03 0.00 0.00 54.58 54.48 2hde n ASN 50 Cb 0.00 -0.52 -0.12 0.00 -0.61 0.00 0.00 39.78 38.53 2hde n ASN 50 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2hde s VAL 51 N -2.42 2.69 -0.72 2.41 -7.23 -1.26 -5.02 120.40 108.85 2hde s VAL 51 Ca -0.15 -1.49 0.23 0.00 -1.81 0.00 0.00 61.98 58.76 2hde s VAL 51 Cb 0.03 -2.20 0.23 0.00 0.56 0.00 0.00 36.38 34.99 2hde s VAL 51 CO 0.21 0.15 1.70 -0.81 -0.31 0.00 0.00 175.10 176.04 2hde n PRO 52 N 0.99 0.14 -0.68 4.82 -0.04 -1.26 -2.70 135.00 136.26 2hde n PRO 52 Ca -0.16 0.28 0.08 0.00 -0.04 0.00 0.00 63.50 63.66 2hde n PRO 52 Cb 0.53 -1.72 0.35 0.00 -0.04 0.00 0.00 33.50 32.62 2hde n PRO 52 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2hde n SER 53 N -1.98 4.93 -0.05 3.54 7.64 -1.26 -4.57 113.62 121.88 2hde n SER 53 Ca 0.04 -2.71 -0.04 0.00 1.01 0.00 0.00 58.87 57.17 2hde n SER 53 Cb 0.27 -0.60 -0.01 0.00 -1.01 0.00 0.00 64.21 62.86 2hde n SER 53 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2hde n SER 54 N 0.64 1.08 -4.54 6.43 2.88 -1.10 -4.81 113.62 114.20 2hde n SER 54 Ca 0.25 0.32 -0.31 0.00 -1.33 0.00 0.00 58.87 57.80 2hde n SER 54 Cb 0.99 -0.67 -0.11 0.00 -0.75 0.00 0.00 64.21 63.67 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 -1.93 2.26 0.24 -1.46 4.04 -1.26 -2.08 118.70 118.52 2hde s GLU 55 Ca -0.13 -0.90 0.03 0.00 0.04 0.00 0.00 54.97 54.00 2hde s GLU 55 Cb 0.02 -2.34 -0.01 0.00 0.02 0.00 0.00 34.13 31.82 2hde s GLU 55 CO 0.19 0.55 0.10 1.47 -1.84 0.00 0.00 175.26 175.73 2hde n LEU 56 N 1.27 0.00 -4.24 1.83 -0.00 0.14 -4.94 117.00 111.06 2hde n LEU 56 Ca -0.15 -1.87 -0.28 0.00 -0.00 0.00 0.00 56.01 53.71 2hde n LEU 56 Cb 0.52 0.66 -0.16 0.00 -0.00 0.00 0.00 43.42 44.45 2hde n LEU 56 CO 0.30 -0.29 -0.54 -1.10 -0.00 0.00 0.00 177.39 175.77 2hde s GLN 57 N -2.91 1.75 -0.04 1.47 1.11 -1.26 -1.43 119.66 118.34 2hde s GLN 57 Ca 0.14 -0.79 0.01 0.00 0.01 0.00 0.00 55.36 54.73 2hde s GLN 57 Cb 0.01 -1.70 0.02 0.00 -1.01 0.00 0.00 33.01 30.33 2hde s GLN 57 CO 0.10 0.47 -0.03 0.96 0.01 0.00 0.00 175.29 176.79 2hde s ILE 58 N -0.53 0.43 -1.19 1.08 -4.36 -1.12 -4.88 121.20 110.64 2hde s ILE 58 Ca 0.08 -0.05 -0.13 0.00 -0.26 0.00 0.00 60.65 60.29 2hde s ILE 58 Cb -0.08 -0.48 0.18 0.00 1.25 0.00 0.00 42.46 43.33 2hde s ILE 58 CO -0.01 0.21 1.39 -0.31 0.24 0.00 0.00 174.94 176.46 2hde s TYR 59 N 1.00 3.59 0.44 1.37 1.51 -1.25 -2.68 117.35 121.32 2hde s TYR 59 Ca -0.10 -2.19 0.07 0.00 -1.01 0.00 0.00 57.07 53.84 2hde s TYR 59 Cb -0.14 -4.26 -0.01 0.00 -0.11 0.00 0.00 41.96 37.44 2hde s TYR 59 CO -0.01 -1.35 0.38 -0.08 -1.11 0.00 0.00 175.55 173.38 2hde s THR 60 N 1.26 2.46 -0.14 -0.71 -1.32 -0.70 -4.50 115.64 111.99 2hde s THR 60 Ca 0.41 -1.39 0.02 0.00 -1.21 0.00 0.00 61.69 59.52 2hde s THR 60 Cb -0.04 -2.85 0.01 0.00 -1.51 0.00 0.00 72.50 68.11 2hde s THR 60 CO -0.01 0.00 -0.20 -1.66 -2.21 0.00 0.00 174.62 170.54 2hde s TRP 61 N -2.54 2.70 0.24 9.09 -2.14 -1.26 0.07 118.94 125.11 2hde s TRP 61 Ca 0.46 -1.24 0.17 0.00 2.66 0.00 0.00 56.10 58.15 2hde s TRP 61 Cb -0.02 -1.83 0.84 0.00 -3.10 0.00 0.00 33.47 29.35 2hde s TRP 61 CO 0.27 -0.56 0.90 -1.33 -2.66 0.00 0.00 176.95 173.56 2hde n MET 62 N 4.03 -0.02 -1.07 3.25 2.81 -1.26 0.32 117.12 125.17 2hde n MET 62 Ca -0.20 0.73 -0.21 0.00 -1.81 0.00 0.00 57.70 56.22 2hde n MET 62 Cb 0.52 -1.42 0.15 0.00 -0.71 0.00 0.00 33.22 31.76 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 -3.92 3.74 -4.81 7.83 -0.08 -1.26 0.97 116.55 119.01 2hde n ASP 63 Ca 0.23 -3.40 -0.38 0.00 -1.51 0.00 0.00 54.79 49.72 2hde n ASP 63 Cb 0.87 -0.80 -0.06 0.00 2.34 0.00 0.00 41.12 43.47 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 -2.88 3.61 0.47 -1.67 0.00 0.94 -4.71 121.76 117.51 2hde s ALA 64 Ca 0.50 -0.04 -0.21 0.00 0.00 0.00 0.00 51.96 52.21 2hde s ALA 64 Cb 0.42 -2.58 -0.09 0.00 0.00 0.00 0.00 23.12 20.87 2hde s ALA 64 CO 0.09 0.39 1.04 0.95 0.00 0.00 0.00 175.76 178.24 2hde s THR 65 N -0.99 3.77 0.46 0.00 -4.23 -1.26 0.30 115.64 113.69 2hde s THR 65 Ca 0.28 1.16 0.29 0.00 -1.18 0.00 0.00 61.69 62.24 2hde s THR 65 Cb -0.19 -3.50 0.49 0.00 1.34 0.00 0.00 72.50 70.65 2hde s THR 65 CO 0.17 -0.18 1.71 -0.07 -0.54 0.00 0.00 174.62 175.71 2hde h LEU 66 N 1.78 0.24 -0.40 4.79 3.38 0.16 0.29 115.31 125.55 2hde h LEU 66 Ca -0.49 0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.56 2hde h LEU 66 Cb 1.22 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 2hde h LEU 66 CO 0.60 -0.04 0.25 0.07 0.09 0.00 0.00 178.44 179.42 2hde h LYS 67 N 0.16 0.50 -0.55 1.13 2.10 -1.66 -1.39 116.57 116.87 2hde h LYS 67 Ca 0.70 -0.03 0.05 0.00 -2.00 0.00 0.00 60.65 59.37 2hde h LYS 67 Cb 2.25 -0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 33.44 2hde h LYS 67 CO -0.25 0.33 0.36 0.93 -2.00 0.00 0.00 179.45 178.82 2hde h GLU 68 N 0.52 0.54 0.00 0.07 4.39 -0.73 0.10 114.58 119.47 2hde h GLU 68 Ca 0.15 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.74 2hde h GLU 68 Cb -0.04 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 2hde h GLU 68 CO -0.04 0.36 -0.37 -0.07 -1.16 0.00 0.00 179.01 177.72 2hde h LEU 69 N 0.56 0.00 -1.03 1.33 -0.00 -1.17 -1.78 115.31 113.22 2hde h LEU 69 Ca 0.23 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 58.02 2hde h LEU 69 Cb 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.85 2hde h LEU 69 CO -0.06 0.37 -0.33 0.74 -0.00 0.00 0.00 178.44 179.16 2hde h THR 70 N 0.00 1.28 0.12 0.22 2.02 0.23 -2.35 112.91 114.44 2hde h THR 70 Ca -0.00 -1.34 -0.19 0.00 0.77 0.00 0.00 66.41 65.65 2hde h THR 70 Cb 0.86 1.54 0.01 0.00 -1.74 0.00 0.00 68.15 68.82 2hde h THR 70 CO 0.05 0.41 -0.90 0.77 0.37 0.00 0.00 175.52 176.22 2hde h SER 71 N 0.25 0.41 -0.78 4.18 4.64 -1.19 -2.99 113.55 118.06 2hde h SER 71 Ca 0.03 -0.93 0.15 0.00 -0.47 0.00 0.00 61.79 60.57 2hde h SER 71 Cb 0.71 -0.13 -0.10 0.00 -0.31 0.00 0.00 62.40 62.57 2hde h SER 71 CO 0.05 1.42 0.34 -0.07 -0.87 0.00 0.00 176.83 177.70 2hde h LEU 72 N -0.42 0.35 -0.55 5.97 3.38 -1.29 0.17 115.31 122.92 2hde h LEU 72 Ca -0.17 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2hde h LEU 72 Cb 1.62 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.41 2hde h LEU 72 CO 0.11 0.13 0.14 0.58 0.09 0.00 0.00 178.44 179.49 2hde h VAL 73 N 0.49 1.24 -0.56 1.22 2.07 -1.52 -2.77 116.25 116.42 2hde h VAL 73 Ca 0.43 -0.86 0.09 0.00 0.82 0.00 0.00 66.70 67.17 2hde h VAL 73 Cb 0.65 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 2hde h VAL 73 CO -0.40 0.32 0.19 0.11 0.02 0.00 0.00 177.57 177.81 2hde h LYS 74 N 0.78 0.34 0.00 1.57 6.56 -0.59 0.80 116.57 126.04 2hde h LYS 74 Ca 0.17 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.74 2hde h LYS 74 Cb 0.33 -0.08 -0.00 0.00 -0.57 0.00 0.00 32.23 31.91 2hde h LYS 74 CO 0.00 0.23 -0.03 1.49 -2.06 0.00 0.00 179.45 179.08 2hde h GLU 75 N 0.36 0.00 -0.33 3.15 4.57 -0.85 -1.12 114.58 120.36 2hde h GLU 75 Ca 0.28 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.46 2hde h GLU 75 Cb 0.34 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2hde h GLU 75 CO -0.30 0.03 0.00 0.28 -1.18 0.00 0.00 179.01 177.84 2hde n VAL 76 N -4.19 0.55 -3.43 0.32 0.31 0.44 -4.88 118.33 107.45 2hde n VAL 76 Ca -0.03 -0.78 -0.11 0.00 -0.01 0.00 0.00 64.34 63.41 2hde n VAL 76 Cb 0.11 0.90 -0.10 0.00 -0.91 0.00 0.00 33.84 33.84 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 -1.24 -0.68 0.02 3.52 6.14 0.25 -5.01 117.35 120.35 2hde s TYR 77 Ca 0.31 0.79 -0.22 0.00 0.64 0.00 0.00 57.07 58.58 2hde s TYR 77 Cb 0.18 -0.03 -0.16 0.00 0.42 0.00 0.00 41.96 42.37 2hde s TYR 77 CO 0.25 -0.64 1.35 -1.00 0.64 0.00 0.00 175.55 176.15 2hde h PRO 78 N 8.22 0.21 -0.01 4.97 0.13 -1.86 -3.07 132.00 140.58 2hde h PRO 78 Ca -0.18 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2hde h PRO 78 Cb 1.15 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 2hde h PRO 78 CO 0.25 0.59 0.01 0.93 -0.23 0.00 0.00 178.00 179.55 2hde h GLU 79 N -0.18 0.00 -0.31 0.86 4.39 -1.96 -1.84 114.58 115.54 2hde h GLU 79 Ca 0.02 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.57 2hde h GLU 79 Cb 0.53 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 2hde h GLU 79 CO 0.02 0.00 -0.39 0.00 -1.16 0.00 0.00 179.01 177.48 2hde h ALA 80 N 1.99 0.72 0.00 3.43 0.00 -1.88 -2.92 119.26 120.60 2hde h ALA 80 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2hde h ALA 80 Cb 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2hde h ALA 80 CO -0.00 0.66 0.20 0.00 0.00 0.00 0.00 179.25 180.11 2hde h ARG 81 N 0.61 0.00 -6.83 0.00 3.08 -1.33 -3.43 114.38 106.48 2hde h ARG 81 Ca 0.05 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.57 2hde h ARG 81 Cb 0.94 0.00 0.09 0.00 0.08 0.00 0.00 29.97 31.08 2hde h ARG 81 CO 0.09 0.00 0.88 0.15 -1.07 0.00 0.00 179.97 180.02 2hde s LYS 82 N -3.72 4.10 0.33 0.04 1.02 -1.10 -4.94 119.74 115.47 2hde s LYS 82 Ca -0.03 2.61 -0.28 0.00 0.02 0.00 0.00 55.97 58.29 2hde s LYS 82 Cb 0.07 -3.01 -0.10 0.00 -0.52 0.00 0.00 37.83 34.28 2hde s LYS 82 CO 0.22 -0.64 1.24 -1.59 -0.92 0.00 0.00 175.35 173.66 2hde s LYS 83 N -0.77 4.37 0.00 1.68 -2.85 -1.26 -3.00 119.74 117.91 2hde s LYS 83 Ca 0.62 2.06 0.00 0.00 -1.00 0.00 0.00 55.97 57.65 2hde s LYS 83 Cb -0.48 -3.03 0.00 0.00 -2.06 0.00 0.00 37.83 32.25 2hde s LYS 83 CO 0.51 -0.12 0.00 0.41 0.10 0.00 0.00 175.35 176.25 2hde n GLY 84 N 0.87 0.68 3.63 0.59 0.00 -1.26 -4.78 105.19 104.93 2hde n GLY 84 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.09 4.61 -0.41 2.61 2.01 -1.16 -4.37 115.64 116.83 2hde s THR 85 Ca 0.00 1.63 -0.17 0.00 0.31 0.00 0.00 61.69 63.45 2hde s THR 85 Cb 0.00 -4.33 0.02 0.00 0.01 0.00 0.00 72.50 68.19 2hde s THR 85 CO 0.00 -0.38 0.44 -2.28 -0.69 0.00 0.00 174.62 171.71 2hde s HIS 86 N 3.41 3.17 -0.07 4.92 2.46 -0.89 -1.76 115.29 126.54 2hde s HIS 86 Ca 0.42 -0.28 0.04 0.00 0.47 0.00 0.00 55.06 55.71 2hde s HIS 86 Cb -0.13 -2.89 -0.02 0.00 -0.13 0.00 0.00 32.58 29.41 2hde s HIS 86 CO 0.13 -0.67 -0.20 -0.59 -2.47 0.00 0.00 174.74 170.95 2hde s PHE 87 N 2.17 2.59 -0.11 3.88 -0.12 -0.94 0.40 117.98 125.86 2hde s PHE 87 Ca 0.13 -0.57 -0.01 0.00 -0.05 0.00 0.00 56.93 56.43 2hde s PHE 87 Cb -0.17 -1.66 -0.03 0.00 -0.63 0.00 0.00 43.02 40.53 2hde s PHE 87 CO 0.14 -0.12 -0.06 -0.80 -0.05 0.00 0.00 175.22 174.33 2hde s ASN 88 N -0.18 4.68 -0.14 1.98 -0.87 0.01 -0.45 114.94 119.96 2hde s ASN 88 Ca -0.02 -0.09 -0.11 0.00 -1.57 0.00 0.00 52.86 51.08 2hde s ASN 88 Cb -0.14 -1.49 -0.05 0.00 -0.02 0.00 0.00 41.25 39.56 2hde s ASN 88 CO 0.03 0.26 0.21 -0.36 -2.57 0.00 0.00 177.10 174.68 2hde s PHE 89 N -0.21 3.51 0.36 2.20 0.40 0.12 0.06 117.98 124.41 2hde s PHE 89 Ca 0.03 0.54 -0.03 0.00 -0.60 0.00 0.00 56.93 56.87 2hde s PHE 89 Cb -0.13 -2.17 0.01 0.00 0.51 0.00 0.00 43.02 41.24 2hde s PHE 89 CO 0.03 0.44 0.50 0.00 0.70 0.00 0.00 175.22 176.89 2hde s ALA 90 N -0.15 0.73 -0.27 5.36 0.00 -0.47 -0.73 121.76 126.23 2hde s ALA 90 Ca 0.14 -1.51 0.02 0.00 0.00 0.00 0.00 51.96 50.62 2hde s ALA 90 Cb -0.12 1.12 0.07 0.00 0.00 0.00 0.00 23.12 24.19 2hde s ALA 90 CO 0.03 -0.80 -0.07 0.42 0.00 0.00 0.00 175.76 175.34 2hde s ILE 91 N -2.91 1.97 0.13 0.00 1.01 0.11 0.33 121.20 121.84 2hde s ILE 91 Ca 0.30 -1.62 0.02 0.00 0.00 0.00 0.00 60.65 59.35 2hde s ILE 91 Cb -0.01 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 2hde s ILE 91 CO 0.21 -0.15 -0.05 0.54 0.00 0.00 0.00 174.94 175.49 2hde s VAL 92 N 1.17 0.78 0.15 2.92 0.11 -0.96 -2.64 120.40 121.91 2hde s VAL 92 Ca -0.05 -1.97 0.09 0.00 -2.93 0.00 0.00 61.98 57.11 2hde s VAL 92 Cb -0.19 -1.86 -0.04 0.00 -1.53 0.00 0.00 36.38 32.75 2hde s VAL 92 CO -0.06 -0.71 -0.20 0.72 -3.33 0.00 0.00 175.10 171.52 2hde s PHE 93 N -3.58 1.85 0.41 1.54 -0.12 -1.26 -4.58 117.98 112.25 2hde s PHE 93 Ca 0.17 -0.44 -0.27 0.00 -0.05 0.00 0.00 56.93 56.34 2hde s PHE 93 Cb 0.05 -0.95 -0.10 0.00 -0.63 0.00 0.00 43.02 41.39 2hde s PHE 93 CO -0.01 0.30 1.43 -2.37 -0.05 0.00 0.00 175.22 174.52 2hde n THR 94 N 0.57 2.40 -2.39 -4.49 5.66 -1.26 -4.94 114.28 109.83 2hde n THR 94 Ca -0.15 -0.50 -0.41 0.00 -3.05 0.00 0.00 64.05 59.93 2hde n THR 94 Cb 0.56 -1.85 -0.03 0.00 -1.55 0.00 0.00 70.33 67.45 2hde n THR 94 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2hde s ASP 95 N -0.33 7.10 0.00 1.09 -4.77 -1.26 -4.86 116.67 113.64 2hde s ASP 95 Ca 0.58 2.21 0.00 0.00 -3.30 0.00 0.00 52.55 52.03 2hde s ASP 95 Cb -0.47 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 38.75 2hde s ASP 95 CO 0.60 -0.36 0.00 1.33 0.70 0.00 0.00 175.17 177.44 2hde n VAL 96 N 2.57 0.00 -0.04 2.11 0.24 -1.26 -5.02 118.33 116.93 2hde n VAL 96 Ca 0.04 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.30 2hde n VAL 96 Cb 0.45 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.77 2hde n VAL 96 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2hde n LYS 97 N -1.84 2.06 -2.91 7.34 0.00 -1.26 -5.04 118.16 116.51 2hde n LYS 97 Ca 0.00 0.01 -0.28 0.00 -0.00 0.00 0.00 58.31 58.05 2hde n LYS 97 Cb 0.00 -1.18 -0.02 0.00 -0.00 0.00 0.00 35.03 33.84 2hde n LYS 97 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2hde s ARG 98 N -2.17 3.61 0.04 -1.58 1.81 -1.26 -5.03 118.95 114.36 2hde s ARG 98 Ca -0.06 0.16 -0.28 0.00 -1.72 0.00 0.00 55.73 53.83 2hde s ARG 98 Cb 0.02 -2.47 -0.17 0.00 -0.45 0.00 0.00 34.95 31.89 2hde s ARG 98 CO 0.26 -0.04 1.39 -1.35 -0.68 0.00 0.00 175.30 174.88 2hde h PRO 99 N 0.80 -0.63 0.00 3.54 0.11 -2.00 -3.47 132.00 130.36 2hde h PRO 99 Ca -0.47 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2hde h PRO 99 Cb 1.20 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.45 2hde h PRO 99 CO 0.63 -0.34 0.00 0.41 -0.21 0.00 0.00 178.00 178.49 2hde n GLY 100 N -0.84 1.12 1.24 -0.55 0.00 -1.26 -4.90 105.19 100.00 2hde n GLY 100 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.78 -1.10 1.61 4.11 -1.26 -4.23 117.16 117.06 2hde n TYR 101 Ca 0.00 -0.39 -0.09 0.00 -0.00 0.00 0.00 57.90 57.42 2hde n TYR 101 Cb 0.00 0.00 0.28 0.00 -0.00 0.00 0.00 39.34 39.62 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 1.53 3.33 -4.23 -3.48 3.00 -1.26 -4.94 116.66 110.62 2hde n ARG 102 Ca 0.22 -3.08 -0.34 0.00 -0.00 0.00 0.00 57.85 54.65 2hde n ARG 102 Cb 0.60 -2.18 -0.08 0.00 0.00 0.00 0.00 32.46 30.80 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 -3.07 4.53 -0.04 5.15 0.11 -1.26 -4.86 120.40 120.96 2hde s VAL 103 Ca 0.55 -0.31 -0.17 0.00 -2.93 0.00 0.00 61.98 59.12 2hde s VAL 103 Cb 0.44 -2.98 0.03 0.00 -1.53 0.00 0.00 36.38 32.34 2hde s VAL 103 CO 0.12 0.49 0.37 -0.75 -3.33 0.00 0.00 175.10 172.00 2hde s LYS 104 N -1.28 0.68 0.01 1.54 2.36 -1.08 -4.96 119.74 117.01 2hde s LYS 104 Ca 0.17 -0.01 -0.07 0.00 -2.55 0.00 0.00 55.97 53.51 2hde s LYS 104 Cb -0.12 0.31 -0.05 0.00 -1.05 0.00 0.00 37.83 36.93 2hde s LYS 104 CO 0.07 -0.18 0.27 -2.00 1.55 0.00 0.00 175.35 175.07 2hde s GLU 105 N -1.06 3.59 -0.15 4.03 2.12 -1.26 0.08 118.70 126.05 2hde s GLU 105 Ca -0.11 -0.07 0.17 0.00 0.36 0.00 0.00 54.97 55.32 2hde s GLU 105 Cb -0.04 -3.08 -0.24 0.00 0.26 0.00 0.00 34.13 31.03 2hde s GLU 105 CO 0.04 0.65 0.14 0.44 -0.54 0.00 0.00 175.26 175.99 2hde n ILE 106 N 1.12 0.97 0.00 -3.70 -5.35 0.09 -4.94 119.36 107.55 2hde n ILE 106 Ca -0.11 -0.70 0.00 0.00 -0.27 0.00 0.00 62.75 61.67 2hde n ILE 106 Cb 0.53 -0.40 0.00 0.00 -1.74 0.00 0.00 39.64 38.03 2hde n ILE 106 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2hde n GLY 107 N 1.78 2.23 3.15 3.28 0.00 -1.16 -5.04 105.19 109.44 2hde n GLY 107 Ca -0.24 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.68 2hde n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hde s SER 108 N 0.00 1.95 0.00 1.61 1.04 -1.26 0.12 113.70 117.16 2hde s SER 108 Ca 0.00 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.11 2hde s SER 108 Cb 0.00 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.91 2hde s SER 108 CO 0.00 0.19 0.00 0.35 0.98 0.00 0.00 173.24 174.76 2hde n THR 109 N 2.60 0.00 -4.10 2.02 -2.24 0.40 -4.64 114.28 108.32 2hde n THR 109 Ca -0.15 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.53 2hde n THR 109 Cb 0.54 -0.45 -0.08 0.00 -2.10 0.00 0.00 70.33 68.24 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 -1.38 1.19 -1.40 -0.78 -1.94 -1.26 -2.20 119.30 111.54 2hde s MET 110 Ca 0.00 -1.42 -0.15 0.00 -1.71 0.00 0.00 55.69 52.41 2hde s MET 110 Cb 0.00 0.32 0.02 0.00 2.01 0.00 0.00 34.83 37.19 2hde s MET 110 CO 0.00 -0.42 2.21 0.45 -0.01 0.00 0.00 175.02 177.25 2hde n SER 111 N -0.24 3.76 0.00 3.03 2.88 -0.72 -3.67 113.62 118.67 2hde n SER 111 Ca -0.02 -2.83 0.00 0.00 -1.33 0.00 0.00 58.87 54.69 2hde n SER 111 Cb 0.64 -1.61 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 2hde n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hde n GLY 112 N 4.14 1.14 3.28 0.46 0.00 -1.26 -4.09 105.19 108.85 2hde n GLY 112 Ca 0.52 0.00 -0.33 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 -0.23 3.21 -0.71 1.61 3.52 -1.24 -5.08 118.95 120.04 2hde s ARG 113 Ca 0.00 -0.77 -0.25 0.00 -0.13 0.00 0.00 55.73 54.58 2hde s ARG 113 Cb 0.00 -2.52 0.05 0.00 -1.56 0.00 0.00 34.95 30.92 2hde s ARG 113 CO 0.00 0.12 1.13 0.21 -0.81 0.00 0.00 175.30 175.95 2hde s LYS 114 N 0.54 3.16 0.00 5.12 2.36 -1.26 -4.03 119.74 125.63 2hde s LYS 114 Ca -0.11 -0.56 0.00 0.00 -2.55 0.00 0.00 55.97 52.75 2hde s LYS 114 Cb -0.16 -4.23 0.00 0.00 -1.05 0.00 0.00 37.83 32.39 2hde s LYS 114 CO 0.04 -1.98 0.00 0.41 1.55 0.00 0.00 175.35 175.37 2hde n GLY 115 N 5.38 0.51 0.08 5.54 0.00 -1.26 -5.00 105.19 110.43 2hde n GLY 115 Ca 0.00 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.21 1.15 0.00 2.61 1.35 -1.95 -3.34 112.91 112.53 2hde h THR 116 Ca 0.00 -2.92 -0.19 0.00 -0.55 0.00 0.00 66.41 62.74 2hde h THR 116 Cb 0.00 2.61 -0.03 0.00 -1.73 0.00 0.00 68.15 69.00 2hde h THR 116 CO 0.00 0.71 -1.07 0.44 -0.25 0.00 0.00 175.52 175.35 2hde h ASP 117 N 0.01 0.00 -0.85 5.36 3.32 -1.96 -3.34 116.42 118.97 2hde h ASP 117 Ca -0.20 0.00 0.19 0.00 0.02 0.00 0.00 57.03 57.04 2hde h ASP 117 Cb 1.94 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 41.38 2hde h ASP 117 CO 0.11 0.82 0.35 -0.78 -1.72 0.00 0.00 179.24 178.02 2hde h ASP 118 N 0.00 0.29 0.50 6.45 3.58 -1.82 0.86 116.42 126.28 2hde h ASP 118 Ca -0.08 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2hde h ASP 118 Cb 1.70 0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.87 2hde h ASP 118 CO 0.09 0.03 0.00 -0.24 -2.88 0.00 0.00 179.24 176.24 2hde n SER 119 N -5.04 0.00 -4.84 2.28 2.88 -1.25 -1.89 113.62 105.75 2hde n SER 119 Ca 0.19 0.20 -0.32 0.00 -1.33 0.00 0.00 58.87 57.62 2hde n SER 119 Cb 0.57 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 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 -2.75 3.57 0.12 -1.46 0.00 0.30 -4.79 119.30 114.30 2hde s MET 120 Ca 0.15 0.92 0.04 0.00 0.00 0.00 0.00 55.69 56.80 2hde s MET 120 Cb 0.13 -2.08 -0.04 0.00 0.00 0.00 0.00 34.83 32.85 2hde s MET 120 CO 0.33 -0.59 0.12 0.95 0.00 0.00 0.00 175.02 175.83 2hde s THR 121 N -2.87 4.61 0.13 10.11 -4.23 -1.26 0.12 115.64 122.25 2hde s THR 121 Ca 0.58 -0.88 -0.18 0.00 -1.18 0.00 0.00 61.69 60.03 2hde s THR 121 Cb -0.12 -3.29 -0.03 0.00 1.34 0.00 0.00 72.50 70.40 2hde s THR 121 CO 0.44 0.01 1.74 0.25 -0.54 0.00 0.00 174.62 176.53 2hde h LEU 122 N 2.83 0.37 -0.97 4.79 5.85 -0.25 -2.77 115.31 125.17 2hde h LEU 122 Ca -0.47 -0.07 0.32 0.00 0.84 0.00 0.00 57.88 58.50 2hde h LEU 122 Cb 1.18 -0.10 -0.15 0.00 0.37 0.00 0.00 40.66 41.96 2hde h LEU 122 CO 0.65 0.33 0.45 0.06 -0.34 0.00 0.00 178.44 179.60 2hde h GLN 123 N 0.38 0.22 0.00 1.25 3.07 0.34 1.72 115.11 122.09 2hde h GLN 123 Ca 0.11 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.84 2hde h GLN 123 Cb 0.04 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.55 2hde h GLN 123 CO -0.02 0.14 0.00 0.43 0.09 0.00 0.00 178.83 179.48 2hde n SER 124 N -5.15 0.06 -1.40 0.06 7.64 -1.04 -2.53 113.62 111.25 2hde n SER 124 Ca 0.30 0.51 0.02 0.00 1.01 0.00 0.00 58.87 60.72 2hde n SER 124 Cb 0.95 -0.53 0.23 0.00 -1.01 0.00 0.00 64.21 63.86 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 -1.57 3.22 -1.48 1.43 1.13 0.58 -4.89 117.38 115.80 2hde n GLN 125 Ca 0.04 -1.92 -0.08 0.00 -1.94 0.00 0.00 57.00 53.09 2hde n GLN 125 Cb 0.20 -1.95 -0.03 0.00 0.11 0.00 0.00 30.24 28.57 2hde n GLN 125 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 2hde n LYS 126 N 0.28 -1.45 -2.68 -1.09 2.85 -1.05 -4.90 118.16 110.13 2hde n LYS 126 Ca 0.19 0.45 -0.40 0.00 -1.05 0.00 0.00 58.31 57.50 2hde n LYS 126 Cb 0.88 -4.68 -0.05 0.00 -0.65 0.00 0.00 35.03 30.52 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 -1.82 3.86 0.34 5.58 2.19 -1.26 -5.06 117.98 121.82 2hde s PHE 127 Ca 0.00 1.84 0.09 0.00 0.33 0.00 0.00 56.93 59.19 2hde s PHE 127 Cb 0.00 -3.07 -0.06 0.00 -1.31 0.00 0.00 43.02 38.59 2hde s PHE 127 CO 0.00 0.16 0.01 -0.65 1.83 0.00 0.00 175.22 176.56 2hde s GLN 128 N -0.97 2.06 -0.24 10.12 1.11 -1.26 -4.83 119.66 125.64 2hde s GLN 128 Ca 0.43 -1.77 -0.28 0.00 0.01 0.00 0.00 55.36 53.75 2hde s GLN 128 Cb -0.27 -1.91 -0.04 0.00 -1.01 0.00 0.00 33.01 29.78 2hde s GLN 128 CO 0.33 0.13 2.14 0.42 0.01 0.00 0.00 175.29 178.32 2hde s ILE 129 N -2.53 3.10 0.00 1.08 -1.09 -1.26 -1.08 121.20 119.42 2hde s ILE 129 Ca 0.35 0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 2hde s ILE 129 Cb 0.00 -3.14 0.00 0.00 -1.58 0.00 0.00 42.46 37.75 2hde s ILE 129 CO 0.19 -0.09 0.00 0.61 -1.23 0.00 0.00 174.94 174.43 2hde n GLY 130 N 5.70 0.58 3.74 6.18 0.00 -1.26 -5.09 105.19 115.04 2hde n GLY 130 Ca 0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.01 4.51 -0.49 1.61 1.11 -0.24 -4.79 116.67 116.38 2hde s ASP 131 Ca 0.00 2.15 -0.20 0.00 0.18 0.00 0.00 52.55 54.68 2hde s ASP 131 Cb 0.00 -2.57 0.05 0.00 1.07 0.00 0.00 42.92 41.47 2hde s ASP 131 CO 0.00 -2.04 0.66 -0.31 1.18 0.00 0.00 175.17 174.66 2hde s TYR 132 N -2.25 3.03 -0.29 4.23 2.02 -1.26 -4.27 117.35 118.55 2hde s TYR 132 Ca 0.70 -0.35 -0.11 0.00 -0.37 0.00 0.00 57.07 56.94 2hde s TYR 132 Cb -0.24 -3.52 -0.03 0.00 -0.40 0.00 0.00 41.96 37.77 2hde s TYR 132 CO 0.45 -1.01 0.18 -0.51 -1.57 0.00 0.00 175.55 173.09 2hde s LEU 133 N 2.80 4.04 -0.34 -1.29 1.43 -1.15 -2.27 118.68 121.90 2hde s LEU 133 Ca 0.19 -0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 52.97 2hde s LEU 133 Cb -0.17 -2.07 -0.00 0.00 0.03 0.00 0.00 46.19 43.97 2hde s LEU 133 CO 0.15 -0.11 0.20 -0.62 0.23 0.00 0.00 176.35 176.20 2hde s ASP 134 N 1.71 5.77 -0.53 2.29 -1.08 0.15 -1.11 116.67 123.87 2hde s ASP 134 Ca 0.06 -0.61 -0.17 0.00 -0.52 0.00 0.00 52.55 51.31 2hde s ASP 134 Cb -0.16 -2.06 0.10 0.00 -1.46 0.00 0.00 42.92 39.34 2hde s ASP 134 CO 0.09 -0.26 0.53 -0.63 0.52 0.00 0.00 175.17 175.42 2hde s ILE 135 N 1.64 5.09 -0.71 4.11 1.09 0.15 -1.36 121.20 131.20 2hde s ILE 135 Ca 0.05 -1.15 -0.27 0.00 -1.10 0.00 0.00 60.65 58.18 2hde s ILE 135 Cb -0.18 -4.31 0.03 0.00 -1.06 0.00 0.00 42.46 36.94 2hde s ILE 135 CO 0.08 -0.84 1.30 0.00 -0.10 0.00 0.00 174.94 175.38 2hde s ALA 136 N 1.97 2.75 -0.11 9.38 0.00 0.11 -2.73 121.76 133.12 2hde s ALA 136 Ca 0.07 -1.27 -0.24 0.00 0.00 0.00 0.00 51.96 50.52 2hde s ALA 136 Cb -0.26 -4.24 -0.03 0.00 0.00 0.00 0.00 23.12 18.60 2hde s ALA 136 CO 0.06 -3.25 0.75 0.42 0.00 0.00 0.00 175.76 173.74 2hde s ILE 137 N 5.82 4.98 -0.32 0.00 1.01 -0.74 -0.81 121.20 131.14 2hde s ILE 137 Ca 0.38 1.51 -0.06 0.00 0.00 0.00 0.00 60.65 62.48 2hde s ILE 137 Cb -0.08 -4.08 0.03 0.00 0.01 0.00 0.00 42.46 38.34 2hde s ILE 137 CO 0.17 0.15 0.08 -0.89 0.00 0.00 0.00 174.94 174.45 2hde s THR 138 N 1.41 3.75 0.95 2.92 2.01 0.16 0.13 115.64 126.98 2hde s THR 138 Ca 0.37 -1.01 -0.13 0.00 0.31 0.00 0.00 61.69 61.24 2hde s THR 138 Cb -0.17 -3.06 0.05 0.00 0.01 0.00 0.00 72.50 69.33 2hde s THR 138 CO 0.16 -0.08 0.48 -2.65 -0.69 0.00 0.00 174.62 171.84 2hde n PRO 139 N 4.81 -0.37 0.09 4.92 -0.02 -1.26 -2.08 135.00 141.08 2hde n PRO 139 Ca -0.13 -0.07 0.11 0.00 -2.02 0.00 0.00 63.50 61.39 2hde n PRO 139 Cb 0.46 -1.91 0.45 0.00 -0.02 0.00 0.00 33.50 32.47 2hde n PRO 139 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2hde n PRO 140 N -2.02 0.15 0.30 0.52 -0.02 -1.26 -3.23 135.00 129.44 2hde n PRO 140 Ca 0.07 0.33 0.19 0.00 -2.02 0.00 0.00 63.50 62.07 2hde n PRO 140 Cb 0.54 -1.76 0.99 0.00 -0.02 0.00 0.00 33.50 33.25 2hde n PRO 140 CO 0.00 0.00 0.00 -2.95 1.98 0.00 0.00 175.50 174.53 2hde h ASN 141 N 0.00 0.00 0.00 2.55 -0.00 -1.93 -3.00 115.58 113.21 2hde h ASN 141 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 56.30 56.00 2hde h ASN 141 Cb 0.40 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 38.68 2hde h ASN 141 CO 0.00 0.00 -2.04 0.54 -0.00 0.00 0.00 177.43 175.93 2hde n ARG 142 N -2.83 0.41 -1.98 4.14 5.12 -1.20 -4.93 116.66 115.39 2hde n ARG 142 Ca -0.02 0.15 -0.43 0.00 -1.93 0.00 0.00 57.85 55.62 2hde n ARG 142 Cb 0.13 -1.22 -0.03 0.00 -1.16 0.00 0.00 32.46 30.17 2hde n ARG 142 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2hde s ALA 143 N -2.35 2.88 -0.22 7.54 0.00 -1.13 -4.92 121.76 123.55 2hde s ALA 143 Ca -0.26 0.30 -0.29 0.00 0.00 0.00 0.00 51.96 51.71 2hde s ALA 143 Cb 0.09 -4.01 -0.06 0.00 0.00 0.00 0.00 23.12 19.13 2hde s ALA 143 CO 0.35 -2.61 2.20 -2.30 0.00 0.00 0.00 175.76 173.40 2hde n PRO 144 N 8.43 1.90 -0.14 0.00 -0.02 -1.26 -4.84 135.00 139.06 2hde n PRO 144 Ca 0.23 0.54 -0.03 0.00 -2.02 0.00 0.00 63.50 62.21 2hde n PRO 144 Cb 0.47 -3.11 0.05 0.00 -0.02 0.00 0.00 33.50 30.89 2hde n PRO 144 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2hde h PRO 145 N 14.34 0.17 -6.70 0.52 0.11 -1.91 -3.41 132.00 135.11 2hde h PRO 145 Ca -0.40 -0.01 -0.52 0.00 0.11 0.00 0.00 66.00 65.18 2hde h PRO 145 Cb 1.25 -0.04 0.02 0.00 0.11 0.00 0.00 31.00 32.35 2hde h PRO 145 CO 0.97 0.11 0.56 -1.25 -0.21 0.00 0.00 178.00 178.18 2hde s PRO 146 N -6.16 4.49 0.04 1.05 0.04 -1.26 -5.03 135.00 128.18 2hde s PRO 146 Ca -0.13 1.91 -0.27 0.00 0.04 0.00 0.00 61.00 62.55 2hde s PRO 146 Cb 0.15 -3.21 0.09 0.00 0.04 0.00 0.00 34.50 31.57 2hde s PRO 146 CO 0.72 -0.07 0.79 0.45 0.04 0.00 0.00 177.00 178.93 2hde s SER 147 N -0.05 -0.44 0.13 6.66 0.15 -1.26 -5.15 113.70 113.73 2hde s SER 147 Ca 0.52 0.04 -0.30 0.00 0.70 0.00 0.00 55.95 56.90 2hde s SER 147 Cb -0.33 0.46 -0.07 0.00 -1.71 0.00 0.00 66.02 64.37 2hde s SER 147 CO 0.39 -0.73 1.11 -0.83 1.20 0.00 0.00 173.24 174.37 2hde s GLY 148 N -2.48 2.75 0.00 9.45 0.00 -1.26 -5.27 107.32 110.52 2hde s GLY 148 Ca 0.03 0.78 0.10 0.00 0.00 0.00 0.00 44.72 45.63 2hde s GLY 148 CO -0.09 1.74 0.80 -0.96 0.00 0.00 0.00 173.10 174.59