#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hde n SER 3 N 0.00 1.75 -0.07 1.61 3.41 -1.26 -4.50 113.62 114.56 2hde n SER 3 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 2hde n SER 3 Cb 0.00 1.11 0.27 0.00 -0.26 0.00 0.00 64.21 65.33 2hde n SER 3 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 2hde h HIS 4 N 0.00 0.69 -3.30 7.33 -0.00 -2.10 -3.42 115.15 114.35 2hde h HIS 4 Ca -0.23 -0.05 -0.53 0.00 -0.00 0.00 0.00 60.37 59.56 2hde h HIS 4 Cb 1.41 -0.21 -0.00 0.00 -0.00 0.00 0.00 27.41 28.61 2hde h HIS 4 CO 0.00 0.58 0.51 0.00 -0.00 0.00 0.00 177.93 179.02 2hde s MET 5 N -5.21 4.49 -0.02 5.26 0.00 -1.26 -5.03 119.30 117.52 2hde s MET 5 Ca -0.09 1.69 -0.05 0.00 0.00 0.00 0.00 55.69 57.25 2hde s MET 5 Cb 0.16 -3.36 0.00 0.00 0.00 0.00 0.00 34.83 31.64 2hde s MET 5 CO 0.78 -0.16 0.11 1.03 0.00 0.00 0.00 175.02 176.78 2hde s ARG 6 N 0.80 0.29 -0.16 3.16 3.00 -1.26 -5.06 118.95 119.71 2hde s ARG 6 Ca 0.56 -0.13 -0.14 0.00 0.00 0.00 0.00 55.73 56.01 2hde s ARG 6 Cb -0.28 0.12 -0.05 0.00 0.00 0.00 0.00 34.95 34.75 2hde s ARG 6 CO 0.30 -0.06 -0.28 0.28 0.00 0.00 0.00 175.30 175.54 2hde n VAL 7 N 2.26 1.42 -2.18 3.52 0.31 -1.26 -4.98 118.33 117.43 2hde n VAL 7 Ca -0.18 0.18 -0.33 0.00 -0.01 0.00 0.00 64.34 64.01 2hde n VAL 7 Cb 0.57 -2.34 -0.00 0.00 -0.91 0.00 0.00 33.84 31.16 2hde n VAL 7 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2hde s THR 8 N -2.62 3.98 -0.14 2.52 -1.32 -1.26 -4.99 115.64 111.81 2hde s THR 8 Ca -0.23 0.97 0.16 0.00 -1.21 0.00 0.00 61.69 61.37 2hde s THR 8 Cb 0.03 -3.47 -0.24 0.00 -1.51 0.00 0.00 72.50 67.31 2hde s THR 8 CO 0.34 -0.52 0.31 0.00 -2.21 0.00 0.00 174.62 172.54 2hde n GLN 9 N -1.82 0.67 -3.79 7.08 3.00 -1.26 -5.04 117.38 116.21 2hde n GLN 9 Ca 0.08 0.11 -0.06 0.00 -0.01 0.00 0.00 57.00 57.12 2hde n GLN 9 Cb 0.53 -1.63 -0.02 0.00 0.00 0.00 0.00 30.24 29.12 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 -2.55 1.51 -0.08 -1.09 0.41 -1.26 -5.17 118.70 110.46 2hde s GLU 10 Ca -0.08 -0.82 0.04 0.00 -0.41 0.00 0.00 54.97 53.70 2hde s GLU 10 Cb 0.07 0.52 0.00 0.00 -1.78 0.00 0.00 34.13 32.94 2hde s GLU 10 CO 0.83 -0.69 -0.21 -2.00 -0.49 0.00 0.00 175.26 172.70 2hde s GLU 11 N -3.64 2.64 -0.28 1.61 2.12 -1.26 -5.11 118.70 114.78 2hde s GLU 11 Ca 0.11 -0.77 -0.24 0.00 0.36 0.00 0.00 54.97 54.43 2hde s GLU 11 Cb -0.04 -2.06 -0.00 0.00 0.26 0.00 0.00 34.13 32.30 2hde s GLU 11 CO 0.04 0.18 0.82 0.42 -0.54 0.00 0.00 175.26 176.18 2hde s ILE 12 N 0.32 4.79 -0.07 -3.70 -1.09 -1.26 -5.03 121.20 115.16 2hde s ILE 12 Ca -0.15 1.36 0.01 0.00 -2.23 0.00 0.00 60.65 59.64 2hde s ILE 12 Cb -0.17 -4.15 0.02 0.00 -1.58 0.00 0.00 42.46 36.58 2hde s ILE 12 CO 0.07 -0.20 -0.08 -0.54 -1.23 0.00 0.00 174.94 172.96 2hde s LYS 13 N 2.96 1.35 -0.17 2.79 1.02 -1.26 -5.13 119.74 121.30 2hde s LYS 13 Ca 0.34 -0.26 -0.01 0.00 0.02 0.00 0.00 55.97 56.06 2hde s LYS 13 Cb -0.14 -1.26 -0.01 0.00 -0.52 0.00 0.00 37.83 35.90 2hde s LYS 13 CO 0.11 -0.09 -0.10 0.15 -0.92 0.00 0.00 175.35 174.49 2hde s LYS 14 N 1.06 3.36 -0.26 1.68 -0.14 -1.26 -5.10 119.74 119.07 2hde s LYS 14 Ca -0.08 -0.67 -0.14 0.00 -1.36 0.00 0.00 55.97 53.72 2hde s LYS 14 Cb -0.14 -2.77 -0.04 0.00 -1.68 0.00 0.00 37.83 33.20 2hde s LYS 14 CO -0.01 0.04 0.33 -1.21 -0.76 0.00 0.00 175.35 173.73 2hde s GLU 15 N 0.82 4.02 -0.10 1.68 0.41 -1.26 -5.05 118.70 119.22 2hde s GLU 15 Ca -0.03 -0.04 -0.30 0.00 -0.41 0.00 0.00 54.97 54.19 2hde s GLU 15 Cb -0.15 -3.64 -0.03 0.00 -1.78 0.00 0.00 34.13 28.53 2hde s GLU 15 CO 0.01 -0.21 1.39 -1.25 -0.49 0.00 0.00 175.26 174.71 2hde s PRO 16 N 1.87 4.23 -0.39 0.39 0.04 -1.26 -4.87 135.00 135.01 2hde s PRO 16 Ca 0.13 1.86 0.07 0.00 0.04 0.00 0.00 61.00 63.10 2hde s PRO 16 Cb -0.16 -3.79 0.31 0.00 0.04 0.00 0.00 34.50 30.90 2hde s PRO 16 CO 0.10 -0.71 1.27 -1.91 0.04 0.00 0.00 177.00 175.78 2hde n GLU 17 N 6.50 0.91 -4.02 4.56 2.13 -1.26 -5.10 120.64 124.36 2hde n GLU 17 Ca 0.15 -1.54 -0.32 0.00 0.66 0.00 0.00 57.16 56.10 2hde n GLU 17 Cb 0.44 -0.16 -0.15 0.00 0.27 0.00 0.00 31.44 31.84 2hde n GLU 17 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2hde s LYS 18 N 0.16 2.03 -0.19 5.31 3.01 -1.26 -5.09 119.74 123.71 2hde s LYS 18 Ca 0.18 -1.52 -0.29 0.00 -1.01 0.00 0.00 55.97 53.33 2hde s LYS 18 Cb 0.31 -3.06 -0.00 0.00 -1.01 0.00 0.00 37.83 34.06 2hde s LYS 18 CO -0.07 -0.71 1.18 -1.25 0.51 0.00 0.00 175.35 175.00 2hde s PRO 19 N 1.06 4.24 -0.01 -1.68 0.04 -1.26 -4.92 135.00 132.48 2hde s PRO 19 Ca -0.02 1.54 0.04 0.00 0.04 0.00 0.00 61.00 62.61 2hde s PRO 19 Cb -0.20 -3.72 -0.01 0.00 0.04 0.00 0.00 34.50 30.62 2hde s PRO 19 CO -0.05 -0.68 -0.13 0.42 0.04 0.00 0.00 177.00 176.60 2hde s ILE 20 N 3.38 1.05 -0.15 0.56 1.01 -1.26 -5.11 121.20 120.69 2hde s ILE 20 Ca 0.51 -0.56 -0.29 0.00 0.00 0.00 0.00 60.65 60.30 2hde s ILE 20 Cb -0.19 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 2hde s ILE 20 CO 0.11 0.30 1.60 -1.81 0.00 0.00 0.00 174.94 175.15 2hde s ASP 21 N -0.28 6.54 0.60 3.58 1.11 -1.26 -4.86 116.67 122.10 2hde s ASP 21 Ca 0.04 1.87 0.28 0.00 0.18 0.00 0.00 52.55 54.93 2hde s ASP 21 Cb -0.06 -2.53 1.43 0.00 1.07 0.00 0.00 42.92 42.83 2hde s ASP 21 CO -0.00 -1.09 1.83 0.03 1.18 0.00 0.00 175.17 177.12 2hde h ARG 22 N 10.07 0.00 0.00 8.23 -0.00 -1.98 0.42 114.38 131.12 2hde h ARG 22 Ca -0.35 0.00 -0.27 0.00 -0.50 0.00 0.00 59.98 58.86 2hde h ARG 22 Cb 1.16 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.09 2hde h ARG 22 CO 0.98 0.00 -1.77 -1.91 0.00 0.00 0.00 179.97 177.27 2hde n GLU 23 N -3.52 0.56 -0.53 0.04 2.13 -1.26 -4.43 120.64 113.63 2hde n GLU 23 Ca 0.08 0.33 -0.10 0.00 0.66 0.00 0.00 57.16 58.12 2hde n GLU 23 Cb 0.70 -1.54 0.08 0.00 0.27 0.00 0.00 31.44 30.95 2hde n GLU 23 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2hde n LYS 24 N -4.37 1.59 -1.45 5.31 0.00 -1.04 -4.95 118.16 113.26 2hde n LYS 24 Ca -0.37 -1.31 -0.32 0.00 0.00 0.00 0.00 58.31 56.32 2hde n LYS 24 Cb 0.71 -1.52 0.07 0.00 0.00 0.00 0.00 35.03 34.28 2hde n LYS 24 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 2hde s THR 25 N -1.44 3.44 -0.32 3.15 -1.32 0.15 -4.67 115.64 114.62 2hde s THR 25 Ca 0.25 0.52 -0.08 0.00 -1.21 0.00 0.00 61.69 61.16 2hde s THR 25 Cb 0.21 -3.05 0.01 0.00 -1.51 0.00 0.00 72.50 68.16 2hde s THR 25 CO 0.05 -0.56 0.13 -0.55 -2.21 0.00 0.00 174.62 171.48 2hde s SER 26 N -3.25 5.39 0.45 8.08 0.15 -1.26 -5.05 113.70 118.21 2hde s SER 26 Ca 0.62 -0.78 -0.25 0.00 0.70 0.00 0.00 55.95 56.24 2hde s SER 26 Cb -0.17 -1.94 -0.08 0.00 -1.71 0.00 0.00 66.02 62.12 2hde s SER 26 CO 0.52 -0.25 1.35 -2.16 1.20 0.00 0.00 173.24 173.89 2hde s PRO 27 N 1.53 3.69 0.16 5.44 0.04 -1.26 -4.71 135.00 139.90 2hde s PRO 27 Ca 0.02 2.24 0.02 0.00 0.04 0.00 0.00 61.00 63.32 2hde s PRO 27 Cb -0.18 -2.60 -0.05 0.00 0.04 0.00 0.00 34.50 31.71 2hde s PRO 27 CO 0.04 -0.75 0.00 -0.48 0.04 0.00 0.00 177.00 175.86 2hde s LEU 28 N -2.78 2.12 -0.18 -3.56 0.05 0.89 -4.94 118.68 110.26 2hde s LEU 28 Ca 0.62 -1.16 -0.07 0.00 0.05 0.00 0.00 54.13 53.56 2hde s LEU 28 Cb -0.40 -0.02 -0.04 0.00 -2.05 0.00 0.00 46.19 43.68 2hde s LEU 28 CO 0.50 -0.57 0.06 -0.22 -0.55 0.00 0.00 176.35 175.57 2hde s LEU 29 N -3.15 3.80 0.11 1.48 2.96 -1.26 -1.37 118.68 121.26 2hde s LEU 29 Ca 0.23 0.08 0.04 0.00 -0.22 0.00 0.00 54.13 54.26 2hde s LEU 29 Cb 0.06 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 2hde s LEU 29 CO 0.03 0.18 -0.11 -1.48 -1.32 0.00 0.00 176.35 173.65 2hde s LEU 30 N 0.36 2.44 -0.00 -0.68 0.05 -1.11 -4.47 118.68 115.27 2hde s LEU 30 Ca 0.03 -0.87 -0.20 0.00 0.05 0.00 0.00 54.13 53.13 2hde s LEU 30 Cb -0.12 -0.35 -0.05 0.00 -2.05 0.00 0.00 46.19 43.62 2hde s LEU 30 CO 0.00 -0.27 0.58 -0.13 -0.55 0.00 0.00 176.35 175.98 2hde s ARG 31 N -3.08 4.29 -0.01 1.48 3.00 -1.26 -2.86 118.95 120.52 2hde s ARG 31 Ca 0.09 0.70 0.04 0.00 0.00 0.00 0.00 55.73 56.56 2hde s ARG 31 Cb -0.01 -3.33 -0.01 0.00 0.00 0.00 0.00 34.95 31.59 2hde s ARG 31 CO 0.00 0.39 -0.12 0.14 0.00 0.00 0.00 175.30 175.72 2hde s VAL 32 N -0.25 0.91 -0.20 3.52 -7.23 -0.69 -2.90 120.40 113.56 2hde s VAL 32 Ca 0.30 -0.49 -0.03 0.00 -1.81 0.00 0.00 61.98 59.94 2hde s VAL 32 Cb -0.18 -0.76 -0.01 0.00 0.56 0.00 0.00 36.38 35.98 2hde s VAL 32 CO 0.17 0.26 -0.05 -0.36 -0.31 0.00 0.00 175.10 174.81 2hde s PHE 33 N -0.27 2.96 -0.17 2.82 0.40 -0.65 0.64 117.98 123.70 2hde s PHE 33 Ca 0.04 -0.73 -0.03 0.00 -0.60 0.00 0.00 56.93 55.61 2hde s PHE 33 Cb -0.04 -2.05 -0.02 0.00 0.51 0.00 0.00 43.02 41.42 2hde s PHE 33 CO -0.00 -0.39 -0.06 0.95 0.70 0.00 0.00 175.22 176.42 2hde s THR 34 N 1.10 3.49 0.17 0.64 -4.23 -1.12 0.36 115.64 116.05 2hde s THR 34 Ca 0.01 -0.48 0.11 0.00 -1.18 0.00 0.00 61.69 60.15 2hde s THR 34 Cb -0.15 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.12 2hde s THR 34 CO -0.00 0.47 -0.25 0.28 -0.54 0.00 0.00 174.62 174.58 2hde s THR 35 N 0.80 2.27 -0.35 3.99 -1.32 -1.12 -4.92 115.64 114.99 2hde s THR 35 Ca -0.02 -1.92 0.08 0.00 -1.21 0.00 0.00 61.69 58.62 2hde s THR 35 Cb -0.15 -2.05 0.64 0.00 -1.51 0.00 0.00 72.50 69.44 2hde s THR 35 CO 0.02 -0.06 1.74 -3.20 -2.21 0.00 0.00 174.62 170.90 2hde n ASN 36 N 0.51 3.77 -0.00 8.08 5.15 -1.26 -1.28 115.26 130.23 2hde n ASN 36 Ca -0.15 -3.49 0.03 0.00 -0.60 0.00 0.00 54.58 50.38 2hde n ASN 36 Cb 0.55 -0.74 -0.04 0.00 -0.53 0.00 0.00 39.78 39.02 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 -0.80 0.38 -3.62 1.20 5.15 -1.18 -4.79 115.26 111.62 2hde n ASN 37 Ca 0.45 -0.65 -0.20 0.00 -0.60 0.00 0.00 54.58 53.57 2hde n ASN 37 Cb 1.37 1.01 0.05 0.00 -0.53 0.00 0.00 39.78 41.68 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 1.18 -0.37 2.85 8.20 0.00 -0.62 -4.86 105.19 111.57 2hde n GLY 38 Ca 0.01 0.15 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 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 -5.76 0.23 -0.05 1.61 3.52 -1.26 -4.89 118.95 112.34 2hde s ARG 39 Ca 0.04 0.40 0.10 0.00 -0.13 0.00 0.00 55.73 56.14 2hde s ARG 39 Cb -0.01 -0.78 0.38 0.00 -1.56 0.00 0.00 34.95 32.98 2hde s ARG 39 CO 0.79 -0.58 1.23 -2.39 -0.81 0.00 0.00 175.30 173.54 2hde n HIS 40 N 5.34 0.77 0.00 5.12 1.44 -1.26 -4.73 115.22 121.90 2hde n HIS 40 Ca -0.05 -0.31 0.00 0.00 -2.01 0.00 0.00 57.72 55.35 2hde n HIS 40 Cb 0.50 -0.14 0.00 0.00 0.12 0.00 0.00 29.99 30.47 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 0.51 0.00 -4.03 -1.40 1.44 -1.26 -4.85 115.22 105.62 2hde n HIS 41 Ca 0.14 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.73 2hde n HIS 41 Cb 0.51 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.57 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 -0.81 1.71 0.13 -1.40 0.52 -1.26 -4.96 118.95 112.88 2hde s ARG 42 Ca 0.00 -1.48 -0.06 0.00 -0.52 0.00 0.00 55.73 53.66 2hde s ARG 42 Cb 0.00 0.46 -0.08 0.00 0.52 0.00 0.00 34.95 35.85 2hde s ARG 42 CO 0.00 -0.71 1.33 0.00 0.02 0.00 0.00 175.30 175.94 2hde h MET 43 N 2.21 0.52 -0.45 3.54 -0.00 -1.88 -3.13 114.93 115.75 2hde h MET 43 Ca -0.28 -0.49 0.13 0.00 -0.00 0.00 0.00 59.70 59.06 2hde h MET 43 Cb 1.25 0.12 -0.02 0.00 -0.00 0.00 0.00 31.60 32.95 2hde h MET 43 CO 0.38 1.13 0.52 0.22 -0.00 0.00 0.00 176.91 179.16 2hde h ASP 44 N 0.33 0.00 1.05 -0.10 3.58 -1.92 0.59 116.42 119.94 2hde h ASP 44 Ca -0.07 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.19 2hde h ASP 44 Cb 1.48 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.50 2hde h ASP 44 CO 0.16 0.00 -0.97 -0.33 -2.88 0.00 0.00 179.24 175.22 2hde h GLU 45 N 0.00 0.00 -0.82 0.28 4.39 -1.88 -3.40 114.58 113.15 2hde h GLU 45 Ca 0.22 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.61 2hde h GLU 45 Cb 1.26 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 29.69 2hde h GLU 45 CO -0.00 0.87 -0.66 1.97 -1.16 0.00 0.00 179.01 180.03 2hde n PHE 46 N -3.30 -2.65 0.00 4.33 -1.74 0.18 -4.93 117.46 109.35 2hde n PHE 46 Ca -0.01 -2.17 0.00 0.00 -0.56 0.00 0.00 57.45 54.71 2hde n PHE 46 Cb 0.91 1.05 0.00 0.00 1.52 0.00 0.00 39.48 42.96 2hde n PHE 46 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 2hde n SER 47 N 1.97 0.00 -4.25 5.98 7.64 0.44 -4.70 113.62 120.70 2hde n SER 47 Ca 0.15 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.64 2hde n SER 47 Cb 0.58 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.67 2hde n SER 47 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2hde s ARG 48 N -0.84 2.54 0.00 1.43 3.00 -1.21 -4.10 118.95 119.76 2hde s ARG 48 Ca 0.00 -1.42 0.00 0.00 -1.00 0.00 0.00 55.73 53.31 2hde s ARG 48 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 34.95 31.29 2hde s ARG 48 CO 0.00 -0.88 0.00 0.41 0.00 0.00 0.00 175.30 174.83 2hde n GLY 49 N 4.85 1.91 0.00 8.12 0.00 -1.26 -4.88 105.19 113.93 2hde n GLY 49 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.00 -3.15 1.61 3.02 -1.26 -5.12 115.26 110.36 2hde n ASN 50 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.61 2hde n ASN 50 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 2hde n ASN 50 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2hde s VAL 51 N 0.15 -0.23 -0.46 2.41 0.11 -1.26 -5.01 120.40 116.12 2hde s VAL 51 Ca 0.00 0.00 0.23 0.00 -2.93 0.00 0.00 61.98 59.28 2hde s VAL 51 Cb 0.00 -0.89 0.30 0.00 -1.53 0.00 0.00 36.38 34.26 2hde s VAL 51 CO 0.00 0.00 1.58 1.55 -3.33 0.00 0.00 175.10 174.90 2hde h PRO 52 N 7.89 0.00 -0.08 1.54 0.13 -1.84 -3.32 132.00 136.32 2hde h PRO 52 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 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 -0.14 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.08 2hde n SER 53 N -2.97 0.08 -3.35 1.44 2.88 -1.26 -4.16 113.62 106.28 2hde n SER 53 Ca 0.04 -0.59 -0.38 0.00 -1.33 0.00 0.00 58.87 56.60 2hde n SER 53 Cb 0.52 -0.04 -0.02 0.00 -0.75 0.00 0.00 64.21 63.92 2hde n SER 53 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2hde n SER 54 N -0.27 8.08 -4.59 -3.46 3.41 -1.25 -4.91 113.62 110.64 2hde n SER 54 Ca 0.00 -2.99 -0.26 0.00 -0.26 0.00 0.00 58.87 55.36 2hde n SER 54 Cb 0.02 -1.40 -0.10 0.00 -0.26 0.00 0.00 64.21 62.47 2hde n SER 54 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2hde s GLU 55 N -0.35 1.94 0.33 4.33 -1.05 -1.26 -2.78 118.70 119.86 2hde s GLU 55 Ca 0.58 -1.88 0.04 0.00 -0.15 0.00 0.00 54.97 53.56 2hde s GLU 55 Cb 0.20 -1.79 -0.01 0.00 -0.44 0.00 0.00 34.13 32.09 2hde s GLU 55 CO -0.09 0.12 0.13 1.47 0.95 0.00 0.00 175.26 177.83 2hde n LEU 56 N -0.88 0.00 -4.28 1.83 -0.00 0.21 -4.93 117.00 108.95 2hde n LEU 56 Ca -0.05 -2.58 -0.31 0.00 -0.00 0.00 0.00 56.01 53.07 2hde n LEU 56 Cb 0.63 0.89 -0.16 0.00 -0.00 0.00 0.00 43.42 44.79 2hde n LEU 56 CO 0.44 -0.40 -0.56 -1.10 -0.00 0.00 0.00 177.39 175.76 2hde s GLN 57 N -3.27 2.31 -0.06 1.47 1.11 -1.26 -1.70 119.66 118.26 2hde s GLN 57 Ca 0.18 -0.91 0.01 0.00 0.01 0.00 0.00 55.36 54.65 2hde s GLN 57 Cb 0.01 -2.08 0.02 0.00 -1.01 0.00 0.00 33.01 29.95 2hde s GLN 57 CO 0.13 0.46 -0.05 0.96 0.01 0.00 0.00 175.29 176.79 2hde s ILE 58 N -0.37 0.69 -1.21 1.08 -4.36 -1.13 -4.91 121.20 110.98 2hde s ILE 58 Ca 0.03 -0.16 -0.15 0.00 -0.26 0.00 0.00 60.65 60.11 2hde s ILE 58 Cb -0.12 -0.72 0.15 0.00 1.25 0.00 0.00 42.46 43.03 2hde s ILE 58 CO 0.01 0.28 1.47 -0.31 0.24 0.00 0.00 174.94 176.63 2hde s TYR 59 N 1.20 3.36 0.47 1.37 2.02 -1.26 -2.74 117.35 121.77 2hde s TYR 59 Ca -0.06 -2.01 0.06 0.00 -0.37 0.00 0.00 57.07 54.69 2hde s TYR 59 Cb -0.14 -4.39 -0.01 0.00 -0.40 0.00 0.00 41.96 37.02 2hde s TYR 59 CO -0.02 -1.47 0.27 -0.08 -1.57 0.00 0.00 175.55 172.69 2hde s THR 60 N 2.08 2.04 -0.13 -0.71 -1.32 -0.47 -4.67 115.64 112.46 2hde s THR 60 Ca 0.44 -1.59 0.03 0.00 -1.21 0.00 0.00 61.69 59.35 2hde s THR 60 Cb -0.02 -2.63 0.01 0.00 -1.51 0.00 0.00 72.50 68.35 2hde s THR 60 CO 0.01 0.00 -0.22 -1.66 -2.21 0.00 0.00 174.62 170.54 2hde s TRP 61 N -2.66 2.58 0.23 9.09 -2.14 -1.26 -0.08 118.94 124.70 2hde s TRP 61 Ca 0.37 -1.27 0.16 0.00 2.66 0.00 0.00 56.10 58.02 2hde s TRP 61 Cb 0.00 -1.76 0.79 0.00 -3.10 0.00 0.00 33.47 29.40 2hde s TRP 61 CO 0.21 -0.57 0.85 -0.12 -2.66 0.00 0.00 176.95 174.65 2hde n MET 62 N 4.01 -0.02 -1.05 3.25 0.00 -1.26 0.37 117.12 122.41 2hde n MET 62 Ca -0.20 0.69 -0.21 0.00 -0.00 0.00 0.00 57.70 57.99 2hde n MET 62 Cb 0.52 -1.34 0.15 0.00 0.00 0.00 0.00 33.22 32.56 2hde n MET 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2hde n ASP 63 N -3.86 3.64 -4.84 6.12 9.92 -1.26 0.29 116.55 126.55 2hde n ASP 63 Ca 0.21 -3.38 -0.35 0.00 -0.53 0.00 0.00 54.79 50.75 2hde n ASP 63 Cb 0.81 -0.79 -0.06 0.00 -0.64 0.00 0.00 41.12 40.44 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 -2.83 3.58 0.31 2.24 0.00 1.17 -4.70 121.76 121.54 2hde s ALA 64 Ca 0.49 -0.13 -0.22 0.00 0.00 0.00 0.00 51.96 52.10 2hde s ALA 64 Cb 0.41 -2.52 -0.09 0.00 0.00 0.00 0.00 23.12 20.91 2hde s ALA 64 CO 0.09 0.45 0.85 0.95 0.00 0.00 0.00 175.76 178.11 2hde s THR 65 N -1.48 4.41 0.51 0.00 -4.23 -1.26 0.78 115.64 114.38 2hde s THR 65 Ca 0.38 1.49 0.40 0.00 -1.18 0.00 0.00 61.69 62.78 2hde s THR 65 Cb -0.15 -3.83 0.61 0.00 1.34 0.00 0.00 72.50 70.47 2hde s THR 65 CO 0.19 0.03 1.63 -0.07 -0.54 0.00 0.00 174.62 175.87 2hde h LEU 66 N 2.88 0.09 0.23 4.79 3.38 0.54 0.33 115.31 127.55 2hde h LEU 66 Ca -0.48 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 2hde h LEU 66 Cb 1.19 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2hde h LEU 66 CO 0.64 -0.07 -0.12 0.07 0.09 0.00 0.00 178.44 179.06 2hde h LYS 67 N 0.04 -0.31 -0.75 1.13 2.10 -1.73 -1.59 116.57 115.46 2hde h LYS 67 Ca 0.83 0.02 0.14 0.00 -2.00 0.00 0.00 60.65 59.64 2hde h LYS 67 Cb 3.05 0.07 -0.05 0.00 -0.90 0.00 0.00 32.23 34.40 2hde h LYS 67 CO -0.16 -0.21 0.50 0.93 -2.00 0.00 0.00 179.45 178.51 2hde h GLU 68 N -0.32 0.43 0.00 0.07 4.39 -0.66 0.43 114.58 118.92 2hde h GLU 68 Ca -0.03 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 2hde h GLU 68 Cb 0.25 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2hde h GLU 68 CO 0.04 0.29 -0.23 -0.07 -1.16 0.00 0.00 179.01 177.88 2hde h LEU 69 N 0.45 0.00 -0.78 1.33 -0.00 -1.24 -2.10 115.31 112.96 2hde h LEU 69 Ca 0.37 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 58.12 2hde h LEU 69 Cb 0.80 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.45 2hde h LEU 69 CO -0.12 0.23 -0.57 0.74 -0.00 0.00 0.00 178.44 178.72 2hde h THR 70 N 0.00 1.39 0.02 0.22 2.02 0.81 -2.91 112.91 114.46 2hde h THR 70 Ca -0.00 -1.92 -0.07 0.00 0.77 0.00 0.00 66.41 65.19 2hde h THR 70 Cb 0.74 1.99 -0.00 0.00 -1.74 0.00 0.00 68.15 69.14 2hde h THR 70 CO 0.03 0.56 -0.34 0.28 0.37 0.00 0.00 175.52 176.42 2hde h SER 71 N 0.10 0.06 -0.76 4.18 0.02 -1.20 -2.97 113.55 112.98 2hde h SER 71 Ca -0.00 -0.91 0.17 0.00 -0.84 0.00 0.00 61.79 60.21 2hde h SER 71 Cb 1.03 -0.02 -0.12 0.00 0.14 0.00 0.00 62.40 63.44 2hde h SER 71 CO 0.08 1.14 0.17 -0.07 -1.14 0.00 0.00 176.83 177.01 2hde h LEU 72 N -0.92 -0.03 -0.50 5.07 3.38 -1.45 0.32 115.31 121.18 2hde h LEU 72 Ca -0.08 0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2hde h LEU 72 Cb 1.14 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 2hde h LEU 72 CO -0.02 -0.07 0.05 0.58 0.09 0.00 0.00 178.44 179.07 2hde h VAL 73 N 0.24 1.26 -0.71 1.22 2.07 -1.64 -2.56 116.25 116.12 2hde h VAL 73 Ca 0.44 -0.99 0.09 0.00 0.82 0.00 0.00 66.70 67.06 2hde h VAL 73 Cb 0.77 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 2hde h VAL 73 CO -0.55 0.35 0.47 0.11 0.02 0.00 0.00 177.57 177.97 2hde h LYS 74 N 0.73 0.60 0.00 1.57 6.56 -0.31 0.86 116.57 126.58 2hde h LYS 74 Ca 0.15 -0.04 -0.09 0.00 -1.06 0.00 0.00 60.65 59.61 2hde h LYS 74 Cb 0.44 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 31.95 2hde h LYS 74 CO 0.02 0.40 -0.43 1.49 -2.06 0.00 0.00 179.45 178.86 2hde h GLU 75 N 0.62 0.00 0.00 3.15 4.81 -0.49 -3.10 114.58 119.57 2hde h GLU 75 Ca 0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2hde h GLU 75 Cb 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 2hde h GLU 75 CO -0.11 0.43 -1.47 0.28 -0.73 0.00 0.00 179.01 177.42 2hde n VAL 76 N -3.63 0.31 -3.98 0.32 0.31 0.26 -4.83 118.33 107.08 2hde n VAL 76 Ca -0.01 -0.51 -0.30 0.00 -0.01 0.00 0.00 64.34 63.51 2hde n VAL 76 Cb 0.53 -0.16 -0.16 0.00 -0.91 0.00 0.00 33.84 33.14 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 -3.43 2.36 0.17 3.52 6.14 0.27 -5.01 117.35 121.37 2hde s TYR 77 Ca -0.04 -1.57 -0.06 0.00 0.64 0.00 0.00 57.07 56.04 2hde s TYR 77 Cb 0.12 -1.61 0.06 0.00 0.42 0.00 0.00 41.96 40.95 2hde s TYR 77 CO 0.85 -0.74 1.50 -1.35 0.64 0.00 0.00 175.55 176.45 2hde h PRO 78 N 7.98 0.72 0.00 4.97 0.11 -1.86 -2.98 132.00 140.94 2hde h PRO 78 Ca -0.26 -0.41 0.00 0.00 0.11 0.00 0.00 66.00 65.43 2hde h PRO 78 Cb 1.10 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2hde h PRO 78 CO 0.46 1.04 0.00 -1.91 -0.21 0.00 0.00 178.00 177.38 2hde n GLU 79 N -4.01 0.11 0.03 1.05 4.07 -1.26 -2.70 120.64 117.94 2hde n GLU 79 Ca -0.03 0.32 -0.09 0.00 -0.06 0.00 0.00 57.16 57.30 2hde n GLU 79 Cb 0.57 -1.69 -0.13 0.00 -0.06 0.00 0.00 31.44 30.13 2hde n GLU 79 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2hde h ALA 80 N 2.42 0.48 0.00 4.31 0.00 -1.86 -3.29 119.26 121.32 2hde h ALA 80 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.78 2hde h ALA 80 Cb 0.34 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2hde h ALA 80 CO 0.00 1.34 0.03 0.00 0.00 0.00 0.00 179.25 180.62 2hde h ARG 81 N 0.01 0.00 -6.93 0.00 2.47 -1.56 -3.43 114.38 104.94 2hde h ARG 81 Ca -0.14 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 58.03 2hde h ARG 81 Cb 1.90 0.00 0.11 0.00 -1.65 0.00 0.00 29.97 30.33 2hde h ARG 81 CO 0.12 0.00 0.76 1.63 0.56 0.00 0.00 179.97 183.04 2hde n LYS 82 N -2.90 2.65 -2.32 0.04 4.01 -1.24 -4.95 118.16 113.45 2hde n LYS 82 Ca -0.03 0.93 -0.39 0.00 -0.51 0.00 0.00 58.31 58.31 2hde n LYS 82 Cb 0.09 -2.66 -0.03 0.00 -0.51 0.00 0.00 35.03 31.92 2hde n LYS 82 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2hde s LYS 83 N -2.11 4.22 0.00 1.97 3.01 -1.26 -3.23 119.74 122.35 2hde s LYS 83 Ca 0.53 1.86 0.00 0.00 -1.01 0.00 0.00 55.97 57.36 2hde s LYS 83 Cb -0.48 -2.83 0.00 0.00 -1.01 0.00 0.00 37.83 33.51 2hde s LYS 83 CO 0.64 -0.18 0.00 0.41 0.51 0.00 0.00 175.35 176.73 2hde n GLY 84 N 0.75 0.61 3.58 -3.33 0.00 -1.26 -4.75 105.19 100.78 2hde n GLY 84 Ca 0.03 0.00 -0.42 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 -2.35 3.76 -0.41 2.61 2.01 -1.20 -3.07 115.64 117.00 2hde s THR 85 Ca 0.00 0.66 -0.16 0.00 0.31 0.00 0.00 61.69 62.50 2hde s THR 85 Cb 0.00 -4.38 0.02 0.00 0.01 0.00 0.00 72.50 68.15 2hde s THR 85 CO 0.00 -1.11 0.34 -2.28 -0.69 0.00 0.00 174.62 170.88 2hde s HIS 86 N 6.18 3.22 -0.06 4.92 2.46 0.89 -1.37 115.29 131.52 2hde s HIS 86 Ca 0.54 -0.51 0.02 0.00 0.47 0.00 0.00 55.06 55.59 2hde s HIS 86 Cb -0.11 -2.68 -0.03 0.00 -0.13 0.00 0.00 32.58 29.63 2hde s HIS 86 CO 0.25 -0.61 -0.12 -0.59 -2.47 0.00 0.00 174.74 171.20 2hde s PHE 87 N 1.82 2.77 -0.13 3.88 -0.12 0.20 0.32 117.98 126.73 2hde s PHE 87 Ca 0.07 -0.18 -0.04 0.00 -0.05 0.00 0.00 56.93 56.74 2hde s PHE 87 Cb -0.18 -1.68 -0.03 0.00 -0.63 0.00 0.00 43.02 40.50 2hde s PHE 87 CO 0.11 0.17 0.01 -0.80 -0.05 0.00 0.00 175.22 174.66 2hde s ASN 88 N -0.60 5.26 -0.18 1.98 -0.87 -0.34 -0.07 114.94 120.12 2hde s ASN 88 Ca 0.09 0.07 -0.14 0.00 -1.57 0.00 0.00 52.86 51.31 2hde s ASN 88 Cb -0.11 -1.70 -0.05 0.00 -0.02 0.00 0.00 41.25 39.37 2hde s ASN 88 CO 0.01 0.27 0.30 -0.36 -2.57 0.00 0.00 177.10 174.76 2hde s PHE 89 N -0.25 3.43 0.01 2.20 0.40 0.16 -0.67 117.98 123.26 2hde s PHE 89 Ca 0.06 0.57 -0.16 0.00 -0.60 0.00 0.00 56.93 56.80 2hde s PHE 89 Cb -0.12 -2.37 0.03 0.00 0.51 0.00 0.00 43.02 41.07 2hde s PHE 89 CO 0.02 0.18 0.35 0.00 0.70 0.00 0.00 175.22 176.47 2hde s ALA 90 N 0.68 -0.86 -0.45 5.36 0.00 -0.69 -1.07 121.76 124.72 2hde s ALA 90 Ca 0.16 0.28 -0.20 0.00 0.00 0.00 0.00 51.96 52.20 2hde s ALA 90 Cb -0.13 0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.23 2hde s ALA 90 CO 0.05 -0.36 0.61 0.42 0.00 0.00 0.00 175.76 176.47 2hde s ILE 91 N -1.96 4.88 0.15 0.00 1.09 0.69 0.36 121.20 126.41 2hde s ILE 91 Ca -0.09 -0.10 0.02 0.00 -1.10 0.00 0.00 60.65 59.38 2hde s ILE 91 Cb -0.03 -4.20 -0.04 0.00 -1.06 0.00 0.00 42.46 37.13 2hde s ILE 91 CO 0.01 -0.62 -0.03 0.68 -0.10 0.00 0.00 174.94 174.87 2hde s VAL 92 N 2.68 0.77 0.22 2.92 -7.23 -0.84 -2.46 120.40 116.45 2hde s VAL 92 Ca 0.19 -1.98 -0.05 0.00 -1.81 0.00 0.00 61.98 58.33 2hde s VAL 92 Cb -0.16 -1.97 -0.03 0.00 0.56 0.00 0.00 36.38 34.79 2hde s VAL 92 CO 0.16 -0.62 0.25 0.72 -0.31 0.00 0.00 175.10 175.30 2hde s PHE 93 N -3.59 0.89 1.15 2.82 -0.71 -1.26 -4.40 117.98 112.89 2hde s PHE 93 Ca 0.20 -1.16 -0.17 0.00 -1.04 0.00 0.00 56.93 54.76 2hde s PHE 93 Cb 0.05 -0.31 0.18 0.00 -1.21 0.00 0.00 43.02 41.73 2hde s PHE 93 CO 0.01 -0.76 0.33 -2.37 -1.34 0.00 0.00 175.22 171.10 2hde n THR 94 N -0.31 0.00 -2.33 -4.49 5.66 -1.26 -4.62 114.28 106.94 2hde n THR 94 Ca 0.01 -0.37 -0.32 0.00 -3.05 0.00 0.00 64.05 60.32 2hde n THR 94 Cb 0.65 -0.74 -0.02 0.00 -1.55 0.00 0.00 70.33 68.67 2hde n THR 94 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2hde s ASP 95 N -2.02 6.38 0.01 1.09 -1.08 -1.26 -4.95 116.67 114.84 2hde s ASP 95 Ca 0.60 1.67 -0.28 0.00 -0.52 0.00 0.00 52.55 54.02 2hde s ASP 95 Cb -0.16 -2.52 0.10 0.00 -1.46 0.00 0.00 42.92 38.88 2hde s ASP 95 CO 0.66 -0.75 0.87 0.54 0.52 0.00 0.00 175.17 177.01 2hde s VAL 96 N -2.51 0.00 -0.38 1.11 0.11 -1.26 -5.01 120.40 112.45 2hde s VAL 96 Ca 0.61 -0.03 0.05 0.00 -2.93 0.00 0.00 61.98 59.68 2hde s VAL 96 Cb -0.12 -1.05 0.49 0.00 -1.53 0.00 0.00 36.38 34.17 2hde s VAL 96 CO 0.31 0.00 1.50 2.29 -3.33 0.00 0.00 175.10 175.88 2hde n LYS 97 N -0.26 2.54 -3.17 1.54 -0.00 -1.26 -4.88 118.16 112.67 2hde n LYS 97 Ca -0.09 -2.05 -0.41 0.00 -0.00 0.00 0.00 58.31 55.76 2hde n LYS 97 Cb 0.62 -1.88 -0.07 0.00 -0.00 0.00 0.00 35.03 33.70 2hde n LYS 97 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2hde s ARG 98 N -2.19 3.67 -0.17 -1.58 3.52 -1.26 -5.03 118.95 115.91 2hde s ARG 98 Ca 0.37 -0.02 -0.29 0.00 -0.13 0.00 0.00 55.73 55.66 2hde s ARG 98 Cb 0.30 -3.80 -0.03 0.00 -1.56 0.00 0.00 34.95 29.86 2hde s ARG 98 CO 0.09 -0.68 1.59 -1.25 -0.81 0.00 0.00 175.30 174.24 2hde s PRO 99 N 2.56 3.95 0.00 5.12 0.04 -1.26 -3.91 135.00 141.50 2hde s PRO 99 Ca 0.22 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2hde s PRO 99 Cb -0.15 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.40 2hde s PRO 99 CO 0.14 -1.11 0.00 0.41 0.04 0.00 0.00 177.00 176.48 2hde n GLY 100 N 4.40 1.22 3.75 0.56 0.00 -1.26 -5.12 105.19 108.74 2hde n GLY 100 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2hde n GLY 100 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2hde s TYR 101 N -1.76 2.41 -0.33 1.61 1.13 -1.25 -5.01 117.35 114.13 2hde s TYR 101 Ca 0.00 1.47 0.01 0.00 -1.41 0.00 0.00 57.07 57.15 2hde s TYR 101 Cb 0.00 -3.58 0.10 0.00 -1.10 0.00 0.00 41.96 37.38 2hde s TYR 101 CO 0.00 -2.38 0.09 1.03 -2.51 0.00 0.00 175.55 171.79 2hde s ARG 102 N -3.10 1.05 -0.04 -3.49 1.81 -1.26 -5.09 118.95 108.83 2hde s ARG 102 Ca 0.74 -1.45 -0.01 0.00 -1.72 0.00 0.00 55.73 53.28 2hde s ARG 102 Cb -0.34 -2.48 0.03 0.00 -0.45 0.00 0.00 34.95 31.72 2hde s ARG 102 CO 0.38 -0.98 0.06 0.54 -0.68 0.00 0.00 175.30 174.62 2hde s VAL 103 N 1.24 -0.09 0.15 3.52 0.11 -1.25 -4.68 120.40 119.40 2hde s VAL 103 Ca 0.11 0.32 -0.21 0.00 -2.93 0.00 0.00 61.98 59.27 2hde s VAL 103 Cb -0.18 -0.13 0.06 0.00 -1.53 0.00 0.00 36.38 34.59 2hde s VAL 103 CO -0.17 0.13 0.56 -0.54 -3.33 0.00 0.00 175.10 171.75 2hde s LYS 104 N 1.65 1.24 0.07 1.54 1.02 -1.03 -4.96 119.74 119.27 2hde s LYS 104 Ca -0.02 -0.53 -0.06 0.00 0.02 0.00 0.00 55.97 55.38 2hde s LYS 104 Cb -0.12 0.56 -0.05 0.00 -0.52 0.00 0.00 37.83 37.70 2hde s LYS 104 CO -0.03 -0.53 0.32 -2.00 -0.92 0.00 0.00 175.35 172.18 2hde s GLU 105 N -3.76 3.61 -0.00 1.68 -6.30 -1.26 -0.22 118.70 112.44 2hde s GLU 105 Ca 0.02 -0.08 0.01 0.00 -2.50 0.00 0.00 54.97 52.41 2hde s GLU 105 Cb -0.00 -2.99 -0.01 0.00 0.00 0.00 0.00 34.13 31.13 2hde s GLU 105 CO -0.12 0.57 0.01 0.44 0.02 0.00 0.00 175.26 176.18 2hde n ILE 106 N 0.65 0.01 0.00 -3.70 -6.64 -0.23 -4.95 119.36 104.50 2hde n ILE 106 Ca -0.07 -0.01 0.00 0.00 -1.77 0.00 0.00 62.75 60.90 2hde n ILE 106 Cb 0.52 0.26 0.00 0.00 -1.44 0.00 0.00 39.64 38.98 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 2.55 1.46 3.19 3.28 0.00 -1.17 -5.02 105.19 109.47 2hde n GLY 107 Ca -0.00 -0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 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 2.42 0.00 1.61 0.15 -1.26 0.38 113.70 117.00 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 -0.55 0.00 0.00 -1.71 0.00 0.00 66.02 63.76 2hde s SER 108 CO 0.00 0.20 0.00 0.35 1.20 0.00 0.00 173.24 174.99 2hde n THR 109 N 2.93 0.00 -3.86 6.45 -2.24 0.89 -4.71 114.28 113.74 2hde n THR 109 Ca -0.17 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.53 2hde n THR 109 Cb 0.53 -0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.63 2hde n THR 109 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hde s MET 110 N -1.47 1.64 -1.03 -0.78 0.23 -1.26 -0.63 119.30 116.01 2hde s MET 110 Ca 0.00 -1.02 -0.22 0.00 -1.03 0.00 0.00 55.69 53.42 2hde s MET 110 Cb 0.00 0.56 0.07 0.00 -1.53 0.00 0.00 34.83 33.92 2hde s MET 110 CO 0.00 -0.73 1.42 0.45 -2.03 0.00 0.00 175.02 174.13 2hde s SER 111 N -2.93 6.55 0.00 -1.18 0.15 -0.47 -3.67 113.70 112.14 2hde s SER 111 Ca 0.13 -1.63 0.00 0.00 0.70 0.00 0.00 55.95 55.16 2hde s SER 111 Cb -0.04 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2hde s SER 111 CO 0.05 -1.41 0.00 0.61 1.20 0.00 0.00 173.24 173.69 2hde n GLY 112 N 6.54 1.61 3.03 9.45 0.00 -1.26 -4.10 105.19 120.46 2hde n GLY 112 Ca 0.33 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.25 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 0.38 -0.53 1.61 3.52 -1.24 -5.07 118.95 117.39 2hde s ARG 113 Ca 0.00 -0.50 -0.03 0.00 -0.13 0.00 0.00 55.73 55.06 2hde s ARG 113 Cb 0.00 0.15 0.14 0.00 -1.56 0.00 0.00 34.95 33.68 2hde s ARG 113 CO 0.00 -0.08 0.34 0.21 -0.81 0.00 0.00 175.30 174.97 2hde s LYS 114 N -1.39 2.34 0.02 5.12 2.20 -1.26 -4.45 119.74 122.32 2hde s LYS 114 Ca -0.15 -2.22 -0.00 0.00 -0.36 0.00 0.00 55.97 53.24 2hde s LYS 114 Cb -0.09 -3.69 0.00 0.00 -1.51 0.00 0.00 37.83 32.55 2hde s LYS 114 CO 0.00 -1.14 0.02 0.41 -0.36 0.00 0.00 175.35 174.29 2hde n GLY 115 N 3.98 -0.95 0.09 5.54 0.00 -1.26 -4.95 105.19 107.65 2hde n GLY 115 Ca 0.03 -1.70 -0.04 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.95 1.57 0.00 2.61 1.35 -1.98 -3.22 112.91 112.29 2hde h THR 116 Ca -0.01 -2.87 -0.15 0.00 -0.55 0.00 0.00 66.41 62.83 2hde h THR 116 Cb 0.02 2.56 -0.02 0.00 -1.73 0.00 0.00 68.15 68.98 2hde h THR 116 CO 0.01 0.82 -0.87 -2.24 -0.25 0.00 0.00 175.52 172.98 2hde h ASP 117 N 0.00 0.00 -0.97 5.36 2.03 -1.94 -3.31 116.42 117.59 2hde h ASP 117 Ca -0.01 0.00 0.24 0.00 -0.73 0.00 0.00 57.03 56.53 2hde h ASP 117 Cb 1.49 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.92 2hde h ASP 117 CO 0.11 0.65 0.65 0.44 -1.03 0.00 0.00 179.24 180.06 2hde h ASP 118 N 0.00 0.36 0.88 4.15 3.32 -1.84 0.85 116.42 124.14 2hde h ASP 118 Ca -0.05 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2hde h ASP 118 Cb 1.54 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.08 2hde h ASP 118 CO 0.08 0.11 0.00 -1.20 -1.72 0.00 0.00 179.24 176.51 2hde n SER 119 N -4.51 0.03 -4.84 6.45 7.64 -1.25 -2.36 113.62 114.78 2hde n SER 119 Ca 0.22 0.50 -0.32 0.00 1.01 0.00 0.00 58.87 60.28 2hde n SER 119 Cb 0.82 -0.51 0.01 0.00 -1.01 0.00 0.00 64.21 63.52 2hde n SER 119 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2hde s MET 120 N -3.01 3.50 0.07 1.43 1.75 0.29 -4.81 119.30 118.53 2hde s MET 120 Ca 0.12 0.95 0.02 0.00 -1.25 0.00 0.00 55.69 55.53 2hde s MET 120 Cb 0.16 -2.07 -0.04 0.00 2.84 0.00 0.00 34.83 35.73 2hde s MET 120 CO 0.46 -0.65 0.10 0.95 -0.65 0.00 0.00 175.02 175.23 2hde s THR 121 N -2.83 4.69 0.15 10.11 -4.23 -1.26 0.69 115.64 122.96 2hde s THR 121 Ca 0.59 -0.66 -0.16 0.00 -1.18 0.00 0.00 61.69 60.27 2hde s THR 121 Cb -0.12 -3.25 0.02 0.00 1.34 0.00 0.00 72.50 70.49 2hde s THR 121 CO 0.44 0.16 1.74 0.25 -0.54 0.00 0.00 174.62 176.67 2hde h LEU 122 N 3.36 0.09 -1.36 4.79 6.46 0.25 -1.81 115.31 127.09 2hde h LEU 122 Ca -0.47 0.04 0.23 0.00 -0.12 0.00 0.00 57.88 57.57 2hde h LEU 122 Cb 1.16 0.04 -0.08 0.00 -0.73 0.00 0.00 40.66 41.05 2hde h LEU 122 CO 0.67 0.09 0.63 0.06 -0.62 0.00 0.00 178.44 179.27 2hde h GLN 123 N 0.24 0.45 0.00 1.25 3.07 -0.41 0.82 115.11 120.53 2hde h GLN 123 Ca 0.16 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.87 2hde h GLN 123 Cb 0.15 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 27.61 2hde h GLN 123 CO -0.18 0.30 0.00 -1.13 0.09 0.00 0.00 178.83 177.91 2hde n SER 124 N -4.60 0.00 -0.80 0.06 3.41 -0.69 -2.22 113.62 108.78 2hde n SER 124 Ca 0.23 0.47 0.08 0.00 -0.26 0.00 0.00 58.87 59.39 2hde n SER 124 Cb 0.76 -0.49 0.22 0.00 -0.26 0.00 0.00 64.21 64.44 2hde n SER 124 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hde n GLN 125 N -1.49 2.02 -1.94 4.33 1.13 0.28 -4.89 117.38 116.82 2hde n GLN 125 Ca 0.04 -1.57 -0.12 0.00 -1.94 0.00 0.00 57.00 53.41 2hde n GLN 125 Cb 0.20 -1.36 -0.02 0.00 0.11 0.00 0.00 30.24 29.17 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 0.78 -0.90 -3.45 -1.09 4.01 -0.94 -5.00 118.16 111.55 2hde n LYS 126 Ca 0.15 0.68 -0.26 0.00 -0.51 0.00 0.00 58.31 58.38 2hde n LYS 126 Cb 0.38 -4.79 -0.02 0.00 -0.51 0.00 0.00 35.03 30.09 2hde n LYS 126 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 2hde s PHE 127 N -2.54 3.49 0.34 2.13 5.36 -1.24 -4.98 117.98 120.54 2hde s PHE 127 Ca 0.00 0.41 -0.01 0.00 -0.96 0.00 0.00 56.93 56.37 2hde s PHE 127 Cb 0.00 -1.93 -0.00 0.00 -0.34 0.00 0.00 43.02 40.75 2hde s PHE 127 CO 0.00 0.20 0.45 -0.65 -1.46 0.00 0.00 175.22 173.76 2hde s GLN 128 N -3.90 1.90 -0.28 10.12 1.11 -1.26 -4.65 119.66 122.70 2hde s GLN 128 Ca 0.40 -1.81 -0.29 0.00 0.01 0.00 0.00 55.36 53.68 2hde s GLN 128 Cb -0.10 0.43 -0.02 0.00 -1.01 0.00 0.00 33.01 32.31 2hde s GLN 128 CO 0.33 -0.77 1.58 0.42 0.01 0.00 0.00 175.29 176.86 2hde s ILE 129 N -3.09 3.74 0.00 1.08 1.01 -1.26 -2.28 121.20 120.39 2hde s ILE 129 Ca 0.32 0.80 0.00 0.00 0.00 0.00 0.00 60.65 61.78 2hde s ILE 129 Cb 0.00 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.64 2hde s ILE 129 CO 0.22 -0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.35 2hde n GLY 130 N 4.84 0.44 3.56 6.18 0.00 -1.26 -5.09 105.19 113.86 2hde n GLY 130 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.30 1.02 -0.43 1.61 1.11 -0.97 -4.85 116.67 111.87 2hde s ASP 131 Ca 0.00 0.89 -0.06 0.00 0.18 0.00 0.00 52.55 53.56 2hde s ASP 131 Cb 0.00 -1.32 0.11 0.00 1.07 0.00 0.00 42.92 42.77 2hde s ASP 131 CO 0.00 -4.09 0.25 -0.31 1.18 0.00 0.00 175.17 172.20 2hde s TYR 132 N -2.83 3.48 -0.34 4.23 2.02 -1.26 -4.14 117.35 118.52 2hde s TYR 132 Ca 0.69 -2.06 -0.12 0.00 -0.37 0.00 0.00 57.07 55.21 2hde s TYR 132 Cb -0.14 -3.23 -0.01 0.00 -0.40 0.00 0.00 41.96 38.19 2hde s TYR 132 CO 0.58 -0.95 0.21 -1.17 -1.57 0.00 0.00 175.55 172.64 2hde s LEU 133 N 1.27 4.41 -0.24 -1.29 1.98 -1.14 -1.98 118.68 121.69 2hde s LEU 133 Ca 0.06 -0.54 -0.09 0.00 -2.89 0.00 0.00 54.13 50.67 2hde s LEU 133 Cb -0.24 -2.08 -0.04 0.00 0.66 0.00 0.00 46.19 44.49 2hde s LEU 133 CO -0.02 -0.24 0.13 -0.62 -1.89 0.00 0.00 176.35 173.70 2hde s ASP 134 N 1.66 5.75 -0.31 3.68 -1.08 0.16 -1.63 116.67 124.90 2hde s ASP 134 Ca 0.05 -0.00 -0.09 0.00 -0.52 0.00 0.00 52.55 51.99 2hde s ASP 134 Cb -0.17 -2.04 -0.00 0.00 -1.46 0.00 0.00 42.92 39.25 2hde s ASP 134 CO 0.08 0.03 0.13 -0.63 0.52 0.00 0.00 175.17 175.31 2hde s ILE 135 N 1.23 4.38 -0.80 4.11 1.09 0.16 -1.70 121.20 129.66 2hde s ILE 135 Ca 0.06 -0.53 -0.21 0.00 -1.10 0.00 0.00 60.65 58.87 2hde s ILE 135 Cb -0.14 -3.25 0.09 0.00 -1.06 0.00 0.00 42.46 38.10 2hde s ILE 135 CO 0.05 0.06 1.06 0.00 -0.10 0.00 0.00 174.94 176.01 2hde s ALA 136 N 1.57 3.19 -0.07 9.38 0.00 0.15 -2.78 121.76 133.21 2hde s ALA 136 Ca 0.04 -2.27 -0.30 0.00 0.00 0.00 0.00 51.96 49.43 2hde s ALA 136 Cb -0.17 -3.98 -0.03 0.00 0.00 0.00 0.00 23.12 18.94 2hde s ALA 136 CO 0.05 -2.92 1.19 0.42 0.00 0.00 0.00 175.76 174.50 2hde s ILE 137 N 3.53 4.29 -0.27 0.00 1.01 -0.41 -1.20 121.20 128.16 2hde s ILE 137 Ca 0.28 1.61 0.02 0.00 0.00 0.00 0.00 60.65 62.56 2hde s ILE 137 Cb -0.11 -4.03 0.07 0.00 0.01 0.00 0.00 42.46 38.40 2hde s ILE 137 CO 0.00 -0.01 -0.06 -0.89 0.00 0.00 0.00 174.94 173.98 2hde s THR 138 N 2.30 1.97 1.18 2.92 2.01 0.15 -1.59 115.64 124.58 2hde s THR 138 Ca 0.55 -1.65 -0.18 0.00 0.31 0.00 0.00 61.69 60.73 2hde s THR 138 Cb -0.24 -2.20 0.22 0.00 0.01 0.00 0.00 72.50 70.29 2hde s THR 138 CO 0.21 -0.18 0.45 -2.65 -0.69 0.00 0.00 174.62 171.76 2hde n PRO 139 N 4.48 -2.80 0.08 4.92 -0.02 -1.26 -0.08 135.00 140.32 2hde n PRO 139 Ca -0.10 -0.82 -0.09 0.00 -2.02 0.00 0.00 63.50 60.48 2hde n PRO 139 Cb 0.43 -1.72 0.02 0.00 -0.02 0.00 0.00 33.50 32.20 2hde n PRO 139 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2hde h PRO 140 N -2.78 0.25 -0.06 0.52 0.13 -1.83 -3.14 132.00 125.09 2hde h PRO 140 Ca -0.41 -0.25 0.02 0.00 -0.87 0.00 0.00 66.00 64.50 2hde h PRO 140 Cb 1.13 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2hde h PRO 140 CO 0.28 0.94 0.14 -2.95 -0.23 0.00 0.00 178.00 176.17 2hde h ASN 141 N 0.16 0.00 0.39 1.44 7.08 -1.91 -0.82 115.58 121.92 2hde h ASN 141 Ca -0.04 0.00 -0.31 0.00 -3.08 0.00 0.00 56.30 52.87 2hde h ASN 141 Cb 1.41 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 37.60 2hde h ASN 141 CO 0.13 0.00 -1.82 -1.14 -2.08 0.00 0.00 177.43 172.52 2hde n ARG 142 N -3.37 0.65 -1.59 4.14 0.63 -1.19 -4.85 116.66 111.08 2hde n ARG 142 Ca -0.01 0.26 -0.43 0.00 -0.92 0.00 0.00 57.85 56.75 2hde n ARG 142 Cb 0.22 -1.75 -0.03 0.00 0.45 0.00 0.00 32.46 31.35 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 -2.63 1.69 -1.79 5.13 0.00 -0.31 -4.92 120.51 117.68 2hde n ALA 143 Ca -0.21 -0.31 -0.41 0.00 0.00 0.00 0.00 53.44 52.51 2hde n ALA 143 Cb 1.06 -2.94 -0.02 0.00 0.00 0.00 0.00 19.45 17.56 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 6.55 4.15 0.61 0.00 0.02 -1.26 -4.98 135.00 140.08 2hde s PRO 144 Ca 1.01 2.52 -0.18 0.00 0.02 0.00 0.00 61.00 64.38 2hde s PRO 144 Cb -0.33 -3.04 -0.03 0.00 0.02 0.00 0.00 34.50 31.12 2hde s PRO 144 CO 0.35 -0.59 1.16 -2.14 -0.33 0.00 0.00 177.00 175.45 2hde s PRO 145 N -0.53 2.94 -0.04 5.54 0.02 -1.26 -4.95 135.00 136.73 2hde s PRO 145 Ca 0.62 1.66 -0.30 0.00 0.02 0.00 0.00 61.00 63.00 2hde s PRO 145 Cb -0.47 -1.94 -0.06 0.00 0.02 0.00 0.00 34.50 32.05 2hde s PRO 145 CO 0.47 -1.19 1.64 -2.14 -0.33 0.00 0.00 177.00 175.46 2hde s PRO 146 N -3.56 4.19 0.24 5.54 0.02 -1.26 -4.58 135.00 135.59 2hde s PRO 146 Ca 0.73 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.95 2hde s PRO 146 Cb -0.26 -3.92 0.00 0.00 0.02 0.00 0.00 34.50 30.34 2hde s PRO 146 CO 0.35 -0.82 0.00 0.45 -0.33 0.00 0.00 177.00 176.65 2hde n SER 147 N 6.86 -2.14 0.00 2.53 2.88 -1.26 -5.11 113.62 117.38 2hde n SER 147 Ca 0.17 0.64 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 2hde n SER 147 Cb 0.43 2.20 0.00 0.00 -0.75 0.00 0.00 64.21 66.08 2hde n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hde n GLY 148 N -1.28 0.15 0.67 0.46 0.00 -1.26 -5.34 105.19 98.59 2hde n GLY 148 Ca 0.00 0.24 0.13 0.00 0.00 0.00 0.00 46.02 46.39 2hde n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86