#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 0.00 0.05 1.61 3.41 -1.26 -4.95 113.62 112.48 2hde n SER 3 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 2hde n SER 3 Cb 0.00 0.20 -0.09 0.00 -0.26 0.00 0.00 64.21 64.07 2hde n SER 3 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2hde h HIS 4 N 0.00 -0.10 -3.35 7.33 -0.00 -2.10 -3.42 115.15 113.51 2hde h HIS 4 Ca 0.00 -0.00 -0.56 0.00 -0.00 0.00 0.00 60.37 59.81 2hde h HIS 4 Cb 0.00 0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 27.40 2hde h HIS 4 CO 0.00 0.18 0.30 -1.64 -0.00 0.00 0.00 177.93 176.77 2hde s MET 5 N -5.05 4.45 0.26 2.45 1.00 -1.26 -5.03 119.30 116.11 2hde s MET 5 Ca -0.15 1.14 -0.18 0.00 0.00 0.00 0.00 55.69 56.50 2hde s MET 5 Cb 0.03 -3.49 0.01 0.00 0.00 0.00 0.00 34.83 31.39 2hde s MET 5 CO 0.64 -0.10 0.62 1.03 0.00 0.00 0.00 175.02 177.21 2hde s ARG 6 N 1.29 1.66 -0.09 2.03 1.81 -1.26 -4.67 118.95 119.72 2hde s ARG 6 Ca 0.44 -1.04 -0.07 0.00 -1.72 0.00 0.00 55.73 53.34 2hde s ARG 6 Cb -0.19 0.56 -0.04 0.00 -0.45 0.00 0.00 34.95 34.83 2hde s ARG 6 CO 0.20 -0.73 -0.15 1.33 -0.68 0.00 0.00 175.30 175.27 2hde n VAL 7 N -0.42 0.88 -2.78 3.52 0.24 -1.26 -4.99 118.33 113.51 2hde n VAL 7 Ca -0.04 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.34 61.83 2hde n VAL 7 Cb 0.60 -1.74 -0.03 0.00 -1.47 0.00 0.00 33.84 31.20 2hde n VAL 7 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2hde s THR 8 N -2.27 4.90 -0.28 3.34 -4.23 -1.26 -5.03 115.64 110.81 2hde s THR 8 Ca -0.15 1.93 -0.01 0.00 -1.18 0.00 0.00 61.69 62.28 2hde s THR 8 Cb 0.05 -4.26 0.09 0.00 1.34 0.00 0.00 72.50 69.71 2hde s THR 8 CO 0.20 0.18 0.07 0.00 -0.54 0.00 0.00 174.62 174.53 2hde s GLN 9 N 0.94 0.83 -0.18 3.99 -2.07 -1.26 -5.09 119.66 116.82 2hde s GLN 9 Ca 0.49 -0.96 -0.07 0.00 -1.82 0.00 0.00 55.36 53.01 2hde s GLN 9 Cb -0.20 -2.13 0.08 0.00 -1.09 0.00 0.00 33.01 29.67 2hde s GLN 9 CO 0.26 -0.87 0.39 -2.00 -1.32 0.00 0.00 175.29 171.75 2hde s GLU 10 N 1.62 0.30 -0.18 9.60 2.12 -1.26 -5.14 118.70 125.75 2hde s GLU 10 Ca 0.06 0.96 -0.02 0.00 0.36 0.00 0.00 54.97 56.32 2hde s GLU 10 Cb -0.17 0.23 -0.01 0.00 0.26 0.00 0.00 34.13 34.44 2hde s GLU 10 CO -0.19 -0.25 -0.09 -2.00 -0.54 0.00 0.00 175.26 172.20 2hde s GLU 11 N 2.43 3.34 -0.47 4.30 2.12 -1.26 -5.08 118.70 124.08 2hde s GLU 11 Ca -0.02 -0.67 -0.18 0.00 0.36 0.00 0.00 54.97 54.46 2hde s GLU 11 Cb -0.12 -2.83 0.05 0.00 0.26 0.00 0.00 34.13 31.49 2hde s GLU 11 CO -0.12 -0.05 0.54 0.42 -0.54 0.00 0.00 175.26 175.51 2hde s ILE 12 N 1.05 4.98 -0.14 -3.70 1.01 -1.26 -4.87 121.20 118.28 2hde s ILE 12 Ca -0.00 -0.49 0.22 0.00 0.00 0.00 0.00 60.65 60.37 2hde s ILE 12 Cb -0.15 -4.20 0.46 0.00 0.01 0.00 0.00 42.46 38.58 2hde s ILE 12 CO -0.01 -0.66 1.16 0.29 0.00 0.00 0.00 174.94 175.72 2hde n LYS 13 N 5.88 1.07 -2.43 2.79 4.76 -1.26 -5.04 118.16 123.93 2hde n LYS 13 Ca -0.07 -2.84 -0.41 0.00 -2.87 0.00 0.00 58.31 52.12 2hde n LYS 13 Cb 0.46 -0.92 -0.03 0.00 -1.84 0.00 0.00 35.03 32.70 2hde n LYS 13 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2hde s LYS 14 N -1.96 3.09 -0.07 1.97 -0.14 -1.26 -4.99 119.74 116.37 2hde s LYS 14 Ca 0.34 0.01 -0.03 0.00 -1.36 0.00 0.00 55.97 54.92 2hde s LYS 14 Cb 0.37 -4.21 -0.04 0.00 -1.68 0.00 0.00 37.83 32.27 2hde s LYS 14 CO -0.10 -2.24 0.05 -1.21 -0.76 0.00 0.00 175.35 171.09 2hde s GLU 15 N 5.97 3.11 1.44 1.68 0.41 -1.26 -5.11 118.70 124.94 2hde s GLU 15 Ca 0.43 -0.36 -0.23 0.00 -0.41 0.00 0.00 54.97 54.40 2hde s GLU 15 Cb -0.09 -2.90 0.37 0.00 -1.78 0.00 0.00 34.13 29.72 2hde s GLU 15 CO 0.17 0.71 0.93 -2.14 -0.49 0.00 0.00 175.26 174.44 2hde s PRO 16 N -1.13 -3.05 -0.26 0.39 0.02 -1.26 -4.87 135.00 124.84 2hde s PRO 16 Ca 0.16 0.10 -0.29 0.00 0.02 0.00 0.00 61.00 60.99 2hde s PRO 16 Cb -0.12 -1.37 -0.02 0.00 0.02 0.00 0.00 34.50 33.02 2hde s PRO 16 CO 0.06 -4.95 1.64 -2.00 -0.33 0.00 0.00 177.00 171.42 2hde s GLU 17 N -5.11 3.69 -0.41 5.54 2.12 -1.26 -4.97 118.70 118.30 2hde s GLU 17 Ca 0.69 1.57 -0.22 0.00 0.36 0.00 0.00 54.97 57.37 2hde s GLU 17 Cb -0.12 -4.07 0.02 0.00 0.26 0.00 0.00 34.13 30.21 2hde s GLU 17 CO 0.57 -1.43 0.70 0.15 -0.54 0.00 0.00 175.26 174.71 2hde s LYS 18 N 4.89 3.49 0.34 4.30 1.02 -1.26 -5.04 119.74 127.47 2hde s LYS 18 Ca 0.72 -0.09 -0.27 0.00 0.02 0.00 0.00 55.97 56.35 2hde s LYS 18 Cb -0.24 -3.89 -0.09 0.00 -0.52 0.00 0.00 37.83 33.09 2hde s LYS 18 CO 0.30 -0.94 1.14 -1.25 -0.92 0.00 0.00 175.35 173.69 2hde s PRO 19 N 2.95 4.35 0.09 -1.68 0.04 -1.26 -5.03 135.00 134.46 2hde s PRO 19 Ca 0.26 1.83 -0.14 0.00 0.04 0.00 0.00 61.00 62.98 2hde s PRO 19 Cb -0.14 -2.92 -0.06 0.00 0.04 0.00 0.00 34.50 31.42 2hde s PRO 19 CO 0.18 -0.05 0.49 0.42 0.04 0.00 0.00 177.00 178.08 2hde s ILE 20 N -1.31 4.92 -0.43 0.56 1.01 -1.26 -5.02 121.20 119.68 2hde s ILE 20 Ca 0.51 0.83 -0.28 0.00 0.00 0.00 0.00 60.65 61.70 2hde s ILE 20 Cb -0.31 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.41 2hde s ILE 20 CO 0.40 0.38 1.65 -1.81 0.00 0.00 0.00 174.94 175.56 2hde s ASP 21 N -1.47 5.95 0.58 3.58 1.11 -1.26 -4.85 116.67 120.31 2hde s ASP 21 Ca 0.32 0.88 0.32 0.00 0.18 0.00 0.00 52.55 54.26 2hde s ASP 21 Cb -0.16 -2.53 1.38 0.00 1.07 0.00 0.00 42.92 42.67 2hde s ASP 21 CO 0.18 -1.73 1.69 0.03 1.18 0.00 0.00 175.17 176.51 2hde h ARG 22 N 12.33 0.00 0.00 8.23 3.08 -1.96 0.90 114.38 136.96 2hde h ARG 22 Ca -0.30 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.31 2hde h ARG 22 Cb 1.14 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.12 2hde h ARG 22 CO 1.10 0.00 -2.53 0.39 -1.07 0.00 0.00 179.97 177.86 2hde n GLU 23 N -3.73 0.61 -0.86 0.04 1.02 -1.26 -4.48 120.64 111.97 2hde n GLU 23 Ca 0.20 0.23 -0.15 0.00 -0.02 0.00 0.00 57.16 57.42 2hde n GLU 23 Cb 1.16 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 31.23 2hde n GLU 23 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2hde n LYS 24 N -3.99 2.04 -1.38 3.49 3.00 -0.76 -4.97 118.16 115.59 2hde n LYS 24 Ca -0.52 -2.16 -0.30 0.00 -0.00 0.00 0.00 58.31 55.32 2hde n LYS 24 Cb 0.91 -1.86 0.11 0.00 0.00 0.00 0.00 35.03 34.20 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 -2.35 2.89 -0.18 3.15 -1.32 0.30 -4.66 115.64 113.47 2hde s THR 25 Ca 0.41 0.29 -0.06 0.00 -1.21 0.00 0.00 61.69 61.12 2hde s THR 25 Cb 0.34 -2.90 -0.03 0.00 -1.51 0.00 0.00 72.50 68.39 2hde s THR 25 CO 0.08 -0.38 0.02 -0.44 -2.21 0.00 0.00 174.62 171.70 2hde s SER 26 N -3.66 5.20 0.17 8.08 0.01 -1.26 -5.03 113.70 117.21 2hde s SER 26 Ca 0.62 -0.05 -0.30 0.00 1.31 0.00 0.00 55.95 57.52 2hde s SER 26 Cb -0.16 -1.88 -0.08 0.00 0.21 0.00 0.00 66.02 64.11 2hde s SER 26 CO 0.56 0.14 1.21 -2.16 0.41 0.00 0.00 173.24 173.39 2hde s PRO 27 N 0.59 4.47 0.08 12.44 0.04 -1.26 -4.59 135.00 146.77 2hde s PRO 27 Ca 0.01 1.88 0.06 0.00 0.04 0.00 0.00 61.00 62.99 2hde s PRO 27 Cb -0.14 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.12 2hde s PRO 27 CO 0.02 -0.13 -0.16 -0.48 0.04 0.00 0.00 177.00 176.29 2hde s LEU 28 N -0.04 2.29 0.07 -3.56 0.05 0.30 -4.87 118.68 112.93 2hde s LEU 28 Ca 0.54 -0.64 -0.31 0.00 0.05 0.00 0.00 54.13 53.77 2hde s LEU 28 Cb -0.33 -0.62 -0.07 0.00 -2.05 0.00 0.00 46.19 43.12 2hde s LEU 28 CO 0.36 -0.04 1.48 -0.22 -0.55 0.00 0.00 176.35 177.37 2hde s LEU 29 N -1.82 4.35 0.06 1.48 2.96 -1.26 -1.94 118.68 122.51 2hde s LEU 29 Ca 0.01 2.32 0.06 0.00 -0.22 0.00 0.00 54.13 56.30 2hde s LEU 29 Cb -0.10 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 2hde s LEU 29 CO 0.03 -0.75 -0.16 -0.22 -1.32 0.00 0.00 176.35 173.93 2hde s LEU 30 N 1.93 2.24 -0.26 -0.68 1.98 -0.79 -4.57 118.68 118.52 2hde s LEU 30 Ca 0.67 -0.57 -0.09 0.00 -2.89 0.00 0.00 54.13 51.26 2hde s LEU 30 Cb -0.36 -0.67 -0.04 0.00 0.66 0.00 0.00 46.19 45.78 2hde s LEU 30 CO 0.30 0.01 0.12 -0.13 -1.89 0.00 0.00 176.35 174.75 2hde s ARG 31 N -1.52 3.76 -0.02 1.98 3.00 -1.26 -2.08 118.95 122.81 2hde s ARG 31 Ca 0.02 -0.42 0.05 0.00 0.00 0.00 0.00 55.73 55.37 2hde s ARG 31 Cb -0.09 -3.46 -0.01 0.00 0.00 0.00 0.00 34.95 31.39 2hde s ARG 31 CO 0.02 -0.19 -0.16 0.14 0.00 0.00 0.00 175.30 175.11 2hde s VAL 32 N 1.67 1.33 -0.31 3.52 -7.23 -0.86 -2.88 120.40 115.64 2hde s VAL 32 Ca 0.07 -0.69 -0.07 0.00 -1.81 0.00 0.00 61.98 59.48 2hde s VAL 32 Cb -0.15 -1.12 0.02 0.00 0.56 0.00 0.00 36.38 35.68 2hde s VAL 32 CO 0.06 0.38 0.09 -0.36 -0.31 0.00 0.00 175.10 174.96 2hde s PHE 33 N -0.20 3.18 -0.16 2.82 0.40 -0.53 0.12 117.98 123.62 2hde s PHE 33 Ca 0.02 -1.13 -0.02 0.00 -0.60 0.00 0.00 56.93 55.21 2hde s PHE 33 Cb -0.08 -2.26 -0.02 0.00 0.51 0.00 0.00 43.02 41.17 2hde s PHE 33 CO 0.00 -0.63 -0.09 0.95 0.70 0.00 0.00 175.22 176.15 2hde s THR 34 N 1.47 3.27 0.23 0.64 -4.23 -1.00 0.21 115.64 116.23 2hde s THR 34 Ca 0.01 -0.57 0.05 0.00 -1.18 0.00 0.00 61.69 60.00 2hde s THR 34 Cb -0.18 -2.42 -0.03 0.00 1.34 0.00 0.00 72.50 71.21 2hde s THR 34 CO 0.02 0.50 0.33 0.28 -0.54 0.00 0.00 174.62 175.21 2hde s THR 35 N 0.63 5.20 -0.32 3.99 -1.32 -1.09 -4.77 115.64 117.96 2hde s THR 35 Ca -0.05 -0.97 0.11 0.00 -1.21 0.00 0.00 61.69 59.56 2hde s THR 35 Cb -0.15 -3.80 0.76 0.00 -1.51 0.00 0.00 72.50 67.80 2hde s THR 35 CO 0.03 -0.29 1.77 -3.20 -2.21 0.00 0.00 174.62 170.72 2hde n ASN 36 N -1.24 5.07 0.00 8.08 5.15 -1.26 -1.97 115.26 129.09 2hde n ASN 36 Ca -0.09 -3.10 0.00 0.00 -0.60 0.00 0.00 54.58 50.79 2hde n ASN 36 Cb 0.57 -0.73 0.00 0.00 -0.53 0.00 0.00 39.78 39.09 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 0.11 0.09 -3.51 1.20 5.15 -0.43 -4.49 115.26 113.37 2hde n ASN 37 Ca 0.36 -1.02 -0.22 0.00 -0.60 0.00 0.00 54.58 53.10 2hde n ASN 37 Cb 1.31 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 40.62 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 -0.01 -0.86 3.07 8.20 0.00 0.31 -4.70 105.19 111.20 2hde n GLY 38 Ca 0.00 0.41 -0.24 0.00 0.00 0.00 0.00 46.02 46.19 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 -5.34 1.54 -0.08 1.61 3.00 -1.26 -4.88 118.95 113.53 2hde s ARG 39 Ca 0.33 -0.48 0.10 0.00 0.00 0.00 0.00 55.73 55.68 2hde s ARG 39 Cb -0.08 -1.34 0.42 0.00 0.00 0.00 0.00 34.95 33.95 2hde s ARG 39 CO 0.80 0.16 1.23 -2.39 0.00 0.00 0.00 175.30 175.10 2hde n HIS 40 N 3.33 0.94 0.00 -0.53 1.44 -1.26 -4.76 115.22 114.38 2hde n HIS 40 Ca -0.19 -0.36 0.00 0.00 -2.01 0.00 0.00 57.72 55.16 2hde n HIS 40 Cb 0.53 -0.21 0.00 0.00 0.12 0.00 0.00 29.99 30.43 2hde n HIS 40 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2hde n HIS 41 N 0.48 0.00 -3.78 -1.40 8.25 -1.26 -4.91 115.22 112.60 2hde n HIS 41 Ca 0.15 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.61 2hde n HIS 41 Cb 0.62 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.74 2hde n HIS 41 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 2hde n ARG 42 N -0.68 0.22 0.12 -0.41 1.85 -1.26 -5.02 116.66 111.48 2hde n ARG 42 Ca 0.00 -0.59 -0.02 0.00 -1.00 0.00 0.00 57.85 56.24 2hde n ARG 42 Cb 0.00 0.85 0.16 0.00 -1.05 0.00 0.00 32.46 32.42 2hde n ARG 42 CO 0.00 0.00 0.00 0.52 -0.01 0.00 0.00 177.63 178.14 2hde h MET 43 N 0.00 0.09 -0.74 2.89 2.86 -1.88 -3.07 114.93 115.08 2hde h MET 43 Ca -0.12 -0.06 0.21 0.00 -2.06 0.00 0.00 59.70 57.67 2hde h MET 43 Cb 0.60 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.23 2hde h MET 43 CO 0.17 0.66 0.67 -0.44 1.06 0.00 0.00 176.91 179.03 2hde h ASP 44 N 0.06 0.00 0.45 1.22 5.19 -1.97 0.66 116.42 122.02 2hde h ASP 44 Ca -0.01 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.29 2hde h ASP 44 Cb 1.08 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.57 2hde h ASP 44 CO 0.08 0.00 -0.51 -0.33 -3.12 0.00 0.00 179.24 175.36 2hde h GLU 45 N 0.00 0.07 -1.13 3.56 4.39 -1.96 -3.42 114.58 116.10 2hde h GLU 45 Ca 0.35 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.01 2hde h GLU 45 Cb 1.69 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 30.11 2hde h GLU 45 CO -0.00 0.57 -0.39 -0.59 -1.16 0.00 0.00 179.01 177.43 2hde s PHE 46 N -3.89 -1.67 0.61 4.33 -0.12 0.23 -5.06 117.98 112.41 2hde s PHE 46 Ca -0.03 1.07 -0.03 0.00 -0.05 0.00 0.00 56.93 57.89 2hde s PHE 46 Cb 0.13 0.28 0.04 0.00 -0.63 0.00 0.00 43.02 42.84 2hde s PHE 46 CO 0.76 -1.03 0.89 -1.12 -0.05 0.00 0.00 175.22 174.66 2hde s SER 47 N 2.78 5.17 -0.53 1.98 0.01 -1.15 -4.81 113.70 117.17 2hde s SER 47 Ca 0.12 0.32 -0.26 0.00 1.31 0.00 0.00 55.95 57.44 2hde s SER 47 Cb -0.11 -1.15 0.03 0.00 0.21 0.00 0.00 66.02 65.00 2hde s SER 47 CO -0.26 -1.29 1.01 -0.60 0.41 0.00 0.00 173.24 172.51 2hde s ARG 48 N -4.99 3.45 0.00 12.44 3.52 -1.26 -3.35 118.95 128.77 2hde s ARG 48 Ca 0.57 0.03 0.00 0.00 -0.13 0.00 0.00 55.73 56.20 2hde s ARG 48 Cb -0.11 -4.00 0.00 0.00 -1.56 0.00 0.00 34.95 29.29 2hde s ARG 48 CO 0.42 -1.45 0.00 0.41 -0.81 0.00 0.00 175.30 173.87 2hde n GLY 49 N 5.04 1.01 0.08 8.12 0.00 -1.26 -5.00 105.19 113.18 2hde n GLY 49 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 2hde n GLY 49 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2hde h ASN 50 N 0.00 0.00 -5.06 1.61 4.21 -1.96 -3.49 115.58 110.89 2hde h ASN 50 Ca 0.00 -0.58 -0.10 0.00 1.21 0.00 0.00 56.30 56.82 2hde h ASN 50 Cb 0.00 0.00 -0.17 0.00 -1.12 0.00 0.00 38.32 37.03 2hde h ASN 50 CO 0.00 1.11 -0.33 0.68 -1.29 0.00 0.00 177.43 177.60 2hde s VAL 51 N -2.21 0.10 -0.42 2.81 -7.23 -1.26 -5.04 120.40 107.16 2hde s VAL 51 Ca -0.20 -0.80 0.25 0.00 -1.81 0.00 0.00 61.98 59.42 2hde s VAL 51 Cb 0.01 -0.91 0.27 0.00 0.56 0.00 0.00 36.38 36.32 2hde s VAL 51 CO 0.52 -0.44 1.75 1.55 -0.31 0.00 0.00 175.10 178.18 2hde h PRO 52 N 3.38 0.00 -0.35 4.82 0.13 -1.95 -2.58 132.00 135.45 2hde h PRO 52 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2hde h PRO 52 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2hde h PRO 52 CO 0.47 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.69 2hde n SER 53 N -2.36 1.95 0.00 1.44 2.88 -1.26 -4.45 113.62 111.81 2hde n SER 53 Ca 0.02 -1.97 0.00 0.00 -1.33 0.00 0.00 58.87 55.59 2hde n SER 53 Cb 0.25 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 2hde n SER 53 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2hde n SER 54 N 0.56 0.00 -4.86 -3.46 7.64 -0.97 -4.73 113.62 107.80 2hde n SER 54 Ca 0.13 0.02 -0.37 0.00 1.01 0.00 0.00 58.87 59.66 2hde n SER 54 Cb 0.31 -0.15 -0.06 0.00 -1.01 0.00 0.00 64.21 63.31 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 -0.30 3.66 0.12 1.43 4.04 -1.26 -2.38 118.70 124.01 2hde s GLU 55 Ca 0.00 0.10 0.07 0.00 0.04 0.00 0.00 54.97 55.18 2hde s GLU 55 Cb 0.00 -3.17 -0.04 0.00 0.02 0.00 0.00 34.13 30.95 2hde s GLU 55 CO 0.00 0.71 -0.17 -0.48 -1.84 0.00 0.00 175.26 173.48 2hde s LEU 56 N -1.25 2.36 -0.08 1.83 2.34 0.12 -4.89 118.68 119.11 2hde s LEU 56 Ca 0.22 -0.76 -0.18 0.00 0.06 0.00 0.00 54.13 53.47 2hde s LEU 56 Cb -0.14 -0.72 -0.05 0.00 -0.56 0.00 0.00 46.19 44.72 2hde s LEU 56 CO 0.11 -0.04 0.49 -1.10 -1.06 0.00 0.00 176.35 174.74 2hde s GLN 57 N -2.33 4.28 -0.10 1.48 1.11 -1.26 -2.02 119.66 120.83 2hde s GLN 57 Ca 0.08 0.49 -0.02 0.00 0.01 0.00 0.00 55.36 55.92 2hde s GLN 57 Cb -0.07 -3.39 0.04 0.00 -1.01 0.00 0.00 33.01 28.57 2hde s GLN 57 CO 0.04 0.26 0.04 0.96 0.01 0.00 0.00 175.29 176.60 2hde s ILE 58 N 0.28 0.17 -1.27 1.08 -4.36 -0.88 -4.93 121.20 111.27 2hde s ILE 58 Ca 0.27 0.06 -0.18 0.00 -0.26 0.00 0.00 60.65 60.54 2hde s ILE 58 Cb -0.16 -0.50 0.07 0.00 1.25 0.00 0.00 42.46 43.13 2hde s ILE 58 CO 0.12 0.07 1.70 -0.31 0.24 0.00 0.00 174.94 176.76 2hde s TYR 59 N 2.05 2.80 0.38 1.37 1.51 -1.25 -1.89 117.35 122.32 2hde s TYR 59 Ca 0.04 -1.60 0.03 0.00 -1.01 0.00 0.00 57.07 54.53 2hde s TYR 59 Cb -0.14 -4.73 0.03 0.00 -0.11 0.00 0.00 41.96 37.02 2hde s TYR 59 CO -0.06 -1.80 0.29 -2.37 -1.11 0.00 0.00 175.55 170.51 2hde n THR 60 N 6.34 0.00 -3.83 -0.71 5.66 -0.82 -4.47 114.28 116.44 2hde n THR 60 Ca 0.47 -1.52 -0.25 0.00 -3.05 0.00 0.00 64.05 59.70 2hde n THR 60 Cb 0.46 -0.18 -0.17 0.00 -1.55 0.00 0.00 70.33 68.89 2hde n THR 60 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 175.07 170.36 2hde s TRP 61 N -1.90 1.13 0.26 1.09 -2.14 -1.26 -0.54 118.94 115.59 2hde s TRP 61 Ca 0.22 -0.55 0.21 0.00 2.66 0.00 0.00 56.10 58.63 2hde s TRP 61 Cb -0.02 -1.05 0.88 0.00 -3.10 0.00 0.00 33.47 30.19 2hde s TRP 61 CO 0.14 -0.46 0.89 0.00 -2.66 0.00 0.00 176.95 174.87 2hde n MET 62 N 5.03 -0.02 -0.66 3.25 -0.00 -1.26 0.29 117.12 123.75 2hde n MET 62 Ca -0.10 0.70 -0.13 0.00 -0.00 0.00 0.00 57.70 58.17 2hde n MET 62 Cb 0.49 -1.42 0.10 0.00 -0.00 0.00 0.00 33.22 32.39 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 -3.68 3.40 -4.85 3.17 9.92 -1.26 -0.07 116.55 123.17 2hde n ASP 63 Ca 0.24 -2.86 -0.35 0.00 -0.53 0.00 0.00 54.79 51.28 2hde n ASP 63 Cb 0.95 -0.68 -0.06 0.00 -0.64 0.00 0.00 41.12 40.69 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 -1.77 3.68 0.46 2.24 0.00 0.83 -4.66 121.76 122.54 2hde s ALA 64 Ca 0.30 -0.28 -0.20 0.00 0.00 0.00 0.00 51.96 51.78 2hde s ALA 64 Cb 0.26 -2.36 -0.10 0.00 0.00 0.00 0.00 23.12 20.92 2hde s ALA 64 CO 0.06 0.52 0.98 0.95 0.00 0.00 0.00 175.76 178.27 2hde s THR 65 N -1.36 4.21 0.55 0.00 -4.23 -1.26 0.15 115.64 113.71 2hde s THR 65 Ca 0.33 1.33 0.42 0.00 -1.18 0.00 0.00 61.69 62.59 2hde s THR 65 Cb -0.15 -3.56 0.62 0.00 1.34 0.00 0.00 72.50 70.75 2hde s THR 65 CO 0.18 -0.34 1.72 -0.07 -0.54 0.00 0.00 174.62 175.57 2hde h LEU 66 N 1.66 0.00 0.39 4.79 -0.00 0.12 0.22 115.31 122.50 2hde h LEU 66 Ca -0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.37 2hde h LEU 66 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 2hde h LEU 66 CO 0.60 0.00 -0.19 0.50 -0.00 0.00 0.00 178.44 179.35 2hde h LYS 67 N 0.00 -0.51 -0.94 1.13 3.64 -1.73 -1.79 116.57 116.37 2hde h LYS 67 Ca 0.70 0.03 0.20 0.00 -1.27 0.00 0.00 60.65 60.31 2hde h LYS 67 Cb 2.81 0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 34.67 2hde h LYS 67 CO -0.01 -0.29 0.61 0.93 -2.27 0.00 0.00 179.45 178.42 2hde h GLU 68 N -0.61 0.48 0.00 1.90 4.39 -0.87 0.52 114.58 120.38 2hde h GLU 68 Ca -0.05 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.52 2hde h GLU 68 Cb 0.45 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2hde h GLU 68 CO 0.09 0.32 -0.46 -0.07 -1.16 0.00 0.00 179.01 177.72 2hde h LEU 69 N 0.49 0.00 -1.17 1.33 -0.00 -1.31 -1.45 115.31 113.20 2hde h LEU 69 Ca 0.50 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 58.33 2hde h LEU 69 Cb 1.13 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.77 2hde h LEU 69 CO -0.23 0.46 0.04 0.74 -0.00 0.00 0.00 178.44 179.46 2hde h THR 70 N 0.00 1.20 0.14 0.22 2.02 0.91 -2.28 112.91 115.12 2hde h THR 70 Ca -0.00 -0.79 -0.27 0.00 0.77 0.00 0.00 66.41 66.12 2hde h THR 70 Cb 0.91 0.86 0.01 0.00 -1.74 0.00 0.00 68.15 68.19 2hde h THR 70 CO 0.06 0.28 -1.30 -1.28 0.37 0.00 0.00 175.52 173.65 2hde h SER 71 N 0.59 0.46 -0.36 4.18 0.87 -1.24 -2.79 113.55 115.26 2hde h SER 71 Ca 0.13 -0.89 0.07 0.00 -1.23 0.00 0.00 61.79 59.87 2hde h SER 71 Cb 0.32 -0.15 -0.07 0.00 -0.44 0.00 0.00 62.40 62.06 2hde h SER 71 CO 0.01 1.59 -0.11 -0.07 -0.53 0.00 0.00 176.83 177.72 2hde h LEU 72 N -0.25 -0.38 0.10 2.23 3.38 -1.19 0.54 115.31 119.74 2hde h LEU 72 Ca -0.26 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2hde h LEU 72 Cb 1.80 0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.79 2hde h LEU 72 CO 0.11 -0.14 -0.05 0.58 0.09 0.00 0.00 178.44 179.04 2hde h VAL 73 N -0.03 1.13 -0.70 1.22 2.07 -1.57 -2.70 116.25 115.68 2hde h VAL 73 Ca 0.17 -1.13 0.16 0.00 0.82 0.00 0.00 66.70 66.72 2hde h VAL 73 Cb 0.29 1.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 2hde h VAL 73 CO -0.38 0.26 0.48 0.50 0.02 0.00 0.00 177.57 178.45 2hde h LYS 74 N -0.68 0.26 -0.08 1.57 3.11 -1.28 0.46 116.57 119.93 2hde h LYS 74 Ca -0.01 -0.02 -0.18 0.00 -2.81 0.00 0.00 60.65 57.63 2hde h LYS 74 Cb 0.53 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.70 2hde h LYS 74 CO 0.02 0.17 -0.70 1.49 -2.81 0.00 0.00 179.45 177.62 2hde h GLU 75 N 0.27 0.38 -0.10 1.90 4.81 0.11 -2.94 114.58 119.02 2hde h GLU 75 Ca 0.34 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2hde h GLU 75 Cb 0.95 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.39 2hde h GLU 75 CO -0.08 0.94 0.00 0.28 -0.73 0.00 0.00 179.01 179.42 2hde n VAL 76 N -3.84 0.11 -3.40 0.32 0.31 0.21 -4.67 118.33 107.36 2hde n VAL 76 Ca -0.04 -0.35 -0.19 0.00 -0.01 0.00 0.00 64.34 63.75 2hde n VAL 76 Cb 0.69 0.63 -0.10 0.00 -0.91 0.00 0.00 33.84 34.15 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 -1.89 -0.31 0.55 3.52 6.14 0.14 -5.01 117.35 120.49 2hde s TYR 77 Ca 0.35 -0.44 0.27 0.00 0.64 0.00 0.00 57.07 57.88 2hde s TYR 77 Cb 0.20 -0.50 1.46 0.00 0.42 0.00 0.00 41.96 43.54 2hde s TYR 77 CO 0.31 -0.92 1.99 -1.00 0.64 0.00 0.00 175.55 176.57 2hde h PRO 78 N 7.94 0.00 0.00 4.97 0.13 -1.83 0.09 132.00 143.29 2hde h PRO 78 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2hde h PRO 78 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2hde h PRO 78 CO 0.31 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.01 2hde h GLU 79 N 0.00 0.00 0.02 0.86 4.39 -1.95 -1.86 114.58 116.04 2hde h GLU 79 Ca 0.22 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.57 2hde h GLU 79 Cb 0.96 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.55 2hde h GLU 79 CO -0.00 0.00 -2.10 0.00 -1.16 0.00 0.00 179.01 175.75 2hde n ALA 80 N -2.07 1.41 -0.27 3.43 0.00 0.01 -4.24 120.51 118.78 2hde n ALA 80 Ca -0.03 -1.00 0.33 0.00 0.00 0.00 0.00 53.44 52.74 2hde n ALA 80 Cb 0.07 -0.49 0.70 0.00 0.00 0.00 0.00 19.45 19.74 2hde n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hde h ARG 81 N 0.01 0.00 -6.83 0.00 3.08 -1.31 -3.42 114.38 105.92 2hde h ARG 81 Ca -0.44 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.05 2hde h ARG 81 Cb 2.09 0.00 0.12 0.00 0.08 0.00 0.00 29.97 32.26 2hde h ARG 81 CO 0.04 0.00 0.57 1.63 -1.07 0.00 0.00 179.97 181.14 2hde n LYS 82 N -3.88 2.18 -2.36 0.04 4.76 -1.24 -4.93 118.16 112.73 2hde n LYS 82 Ca 0.24 0.77 -0.41 0.00 -2.87 0.00 0.00 58.31 56.04 2hde n LYS 82 Cb 1.27 -2.43 -0.03 0.00 -1.84 0.00 0.00 35.03 31.99 2hde n LYS 82 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2hde s LYS 83 N -2.07 4.52 0.00 1.97 -2.85 -1.26 -3.08 119.74 116.97 2hde s LYS 83 Ca 0.57 1.92 0.00 0.00 -1.00 0.00 0.00 55.97 57.46 2hde s LYS 83 Cb -0.52 -3.19 0.00 0.00 -2.06 0.00 0.00 37.83 32.06 2hde s LYS 83 CO 0.61 -0.01 0.00 0.41 0.10 0.00 0.00 175.35 176.46 2hde n GLY 84 N 1.62 0.70 3.67 0.59 0.00 -1.24 -4.66 105.19 105.87 2hde n GLY 84 Ca 0.02 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 2hde n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hde s THR 85 N -2.00 4.11 -0.49 2.61 2.01 -1.18 -4.19 115.64 116.52 2hde s THR 85 Ca 0.00 1.39 -0.17 0.00 0.31 0.00 0.00 61.69 63.22 2hde s THR 85 Cb 0.00 -3.90 0.06 0.00 0.01 0.00 0.00 72.50 68.68 2hde s THR 85 CO 0.00 -0.08 0.52 -2.28 -0.69 0.00 0.00 174.62 172.09 2hde s HIS 86 N 3.11 3.14 -0.14 4.92 2.46 -0.34 -2.37 115.29 126.08 2hde s HIS 86 Ca 0.58 -0.71 -0.02 0.00 0.47 0.00 0.00 55.06 55.38 2hde s HIS 86 Cb -0.25 -3.35 -0.02 0.00 -0.13 0.00 0.00 32.58 28.83 2hde s HIS 86 CO 0.20 -0.92 -0.07 -0.59 -2.47 0.00 0.00 174.74 170.89 2hde s PHE 87 N 2.17 2.94 -0.23 3.88 -0.12 -0.95 0.24 117.98 125.91 2hde s PHE 87 Ca 0.10 -0.41 -0.05 0.00 -0.05 0.00 0.00 56.93 56.52 2hde s PHE 87 Cb -0.21 -1.91 -0.01 0.00 -0.63 0.00 0.00 43.02 40.26 2hde s PHE 87 CO 0.10 -0.08 -0.00 -0.80 -0.05 0.00 0.00 175.22 174.38 2hde s ASN 88 N 0.31 4.60 -0.10 1.98 -0.87 -0.46 -0.38 114.94 120.02 2hde s ASN 88 Ca -0.06 -0.35 -0.26 0.00 -1.57 0.00 0.00 52.86 50.62 2hde s ASN 88 Cb -0.15 -1.80 -0.02 0.00 -0.02 0.00 0.00 41.25 39.26 2hde s ASN 88 CO 0.04 -0.03 0.86 -0.36 -2.57 0.00 0.00 177.10 175.03 2hde s PHE 89 N 1.52 3.52 0.27 2.20 0.40 0.18 -0.61 117.98 125.46 2hde s PHE 89 Ca 0.06 1.40 0.02 0.00 -0.60 0.00 0.00 56.93 57.80 2hde s PHE 89 Cb -0.15 -3.01 -0.04 0.00 0.51 0.00 0.00 43.02 40.33 2hde s PHE 89 CO -0.01 -0.11 0.14 0.00 0.70 0.00 0.00 175.22 175.94 2hde s ALA 90 N 1.57 1.71 -0.31 5.36 0.00 -0.77 -0.87 121.76 128.44 2hde s ALA 90 Ca 0.42 -1.79 0.04 0.00 0.00 0.00 0.00 51.96 50.63 2hde s ALA 90 Cb -0.18 1.20 0.09 0.00 0.00 0.00 0.00 23.12 24.23 2hde s ALA 90 CO 0.18 -0.52 0.00 0.42 0.00 0.00 0.00 175.76 175.83 2hde s ILE 91 N -3.77 2.20 0.04 0.00 1.01 0.12 0.29 121.20 121.09 2hde s ILE 91 Ca 0.37 -2.09 0.03 0.00 0.00 0.00 0.00 60.65 58.96 2hde s ILE 91 Cb 0.06 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 2hde s ILE 91 CO 0.16 -0.42 -0.09 0.68 0.00 0.00 0.00 174.94 175.27 2hde s VAL 92 N 0.99 0.67 0.13 2.92 -7.23 -0.75 -2.79 120.40 114.35 2hde s VAL 92 Ca 0.05 -0.95 0.09 0.00 -1.81 0.00 0.00 61.98 59.36 2hde s VAL 92 Cb -0.19 -0.68 -0.04 0.00 0.56 0.00 0.00 36.38 36.03 2hde s VAL 92 CO -0.07 -0.22 -0.16 0.72 -0.31 0.00 0.00 175.10 175.05 2hde s PHE 93 N -1.07 2.55 0.89 2.82 -0.12 -1.26 -4.36 117.98 117.42 2hde s PHE 93 Ca -0.05 -0.26 -0.13 0.00 -0.05 0.00 0.00 56.93 56.45 2hde s PHE 93 Cb -0.08 -1.32 0.13 0.00 -0.63 0.00 0.00 43.02 41.11 2hde s PHE 93 CO 0.01 0.42 1.16 0.95 -0.05 0.00 0.00 175.22 177.70 2hde s THR 94 N -1.29 1.99 -0.43 -4.49 -4.23 -1.26 -4.84 115.64 101.09 2hde s THR 94 Ca 0.20 0.00 -0.38 0.00 -1.18 0.00 0.00 61.69 60.32 2hde s THR 94 Cb -0.10 -2.82 -0.15 0.00 1.34 0.00 0.00 72.50 70.77 2hde s THR 94 CO 0.11 0.00 2.19 -0.90 -0.54 0.00 0.00 174.62 175.48 2hde n ASP 95 N -3.67 1.53 0.00 3.99 5.75 -1.26 -4.85 116.55 118.04 2hde n ASP 95 Ca 0.07 0.50 0.00 0.00 -0.01 0.00 0.00 54.79 55.35 2hde n ASP 95 Cb 0.60 -1.11 0.00 0.00 -1.03 0.00 0.00 41.12 39.57 2hde n ASP 95 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 2hde n VAL 96 N 6.94 0.00 -0.03 2.12 3.14 -1.26 -5.02 118.33 124.22 2hde n VAL 96 Ca 0.47 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.79 2hde n VAL 96 Cb 0.12 0.00 0.13 0.00 -1.06 0.00 0.00 33.84 33.03 2hde n VAL 96 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2hde n LYS 97 N 0.00 2.12 -3.41 1.45 4.76 -1.26 -4.90 118.16 116.91 2hde n LYS 97 Ca 0.00 -1.50 -0.19 0.00 -2.87 0.00 0.00 58.31 53.75 2hde n LYS 97 Cb 0.00 -1.69 -0.00 0.00 -1.84 0.00 0.00 35.03 31.49 2hde n LYS 97 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2hde s ARG 98 N -1.71 3.09 0.02 1.97 1.81 -1.26 -5.06 118.95 117.81 2hde s ARG 98 Ca 0.27 -1.03 -0.18 0.00 -1.72 0.00 0.00 55.73 53.07 2hde s ARG 98 Cb 0.22 -2.81 -0.10 0.00 -0.45 0.00 0.00 34.95 31.81 2hde s ARG 98 CO 0.06 0.02 1.20 -1.35 -0.68 0.00 0.00 175.30 174.55 2hde h PRO 99 N 0.86 -0.64 0.00 3.54 0.11 -2.01 -3.48 132.00 130.37 2hde h PRO 99 Ca -0.45 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2hde h PRO 99 Cb 1.26 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.51 2hde h PRO 99 CO 0.52 -0.43 0.00 0.41 -0.21 0.00 0.00 178.00 178.29 2hde n GLY 100 N -1.11 1.62 0.00 -0.55 0.00 -1.26 -5.03 105.19 98.86 2hde n GLY 100 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.00 1.61 1.61 4.01 -1.26 -4.74 117.16 118.39 2hde n TYR 101 Ca 0.00 -0.04 0.10 0.00 -0.16 0.00 0.00 57.90 57.80 2hde n TYR 101 Cb 0.00 -0.00 0.46 0.00 -0.31 0.00 0.00 39.34 39.49 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 -0.04 1.36 -2.60 -0.72 1.74 -1.26 -4.77 116.66 110.37 2hde n ARG 102 Ca 0.00 -0.55 -0.42 0.00 -0.77 0.00 0.00 57.85 56.11 2hde n ARG 102 Cb 0.22 -1.34 -0.03 0.00 -1.02 0.00 0.00 32.46 30.30 2hde n ARG 102 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2hde s VAL 103 N -1.90 4.04 0.10 1.55 0.11 -1.24 -4.64 120.40 118.43 2hde s VAL 103 Ca 0.30 0.82 -0.12 0.00 -2.93 0.00 0.00 61.98 60.04 2hde s VAL 103 Cb 0.15 -4.72 0.02 0.00 -1.53 0.00 0.00 36.38 30.30 2hde s VAL 103 CO 0.24 -1.35 0.29 -0.75 -3.33 0.00 0.00 175.10 170.20 2hde s LYS 104 N 4.90 0.94 0.06 1.54 2.20 -1.12 -4.96 119.74 123.30 2hde s LYS 104 Ca 0.41 -0.81 -0.05 0.00 -0.36 0.00 0.00 55.97 55.16 2hde s LYS 104 Cb -0.08 0.40 -0.05 0.00 -1.51 0.00 0.00 37.83 36.59 2hde s LYS 104 CO 0.24 -0.33 0.30 -2.00 -0.36 0.00 0.00 175.35 173.21 2hde s GLU 105 N -3.71 3.59 -0.02 4.03 -6.30 -1.26 0.11 118.70 115.13 2hde s GLU 105 Ca 0.03 -0.11 0.07 0.00 -2.50 0.00 0.00 54.97 52.46 2hde s GLU 105 Cb 0.03 -2.99 -0.11 0.00 0.00 0.00 0.00 34.13 31.05 2hde s GLU 105 CO -0.11 0.58 0.14 0.44 0.02 0.00 0.00 175.26 176.33 2hde n ILE 106 N 0.65 0.09 0.00 -3.70 -6.64 -0.05 -4.95 119.36 104.76 2hde n ILE 106 Ca -0.07 -0.20 0.00 0.00 -1.77 0.00 0.00 62.75 60.71 2hde n ILE 106 Cb 0.52 0.12 0.00 0.00 -1.44 0.00 0.00 39.64 38.84 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 2.16 1.55 3.11 3.28 0.00 -1.15 -5.04 105.19 109.09 2hde n GLY 107 Ca -0.03 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 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 1.62 0.00 1.61 1.04 -1.26 0.49 113.70 117.20 2hde s SER 108 Ca 0.00 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.14 2hde s SER 108 Cb 0.00 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.96 2hde s SER 108 CO 0.00 0.14 0.00 0.35 0.98 0.00 0.00 173.24 174.71 2hde n THR 109 N 2.55 0.00 -4.04 2.02 -2.24 0.49 -4.63 114.28 108.44 2hde n THR 109 Ca -0.15 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.54 2hde n THR 109 Cb 0.55 -0.31 -0.09 0.00 -2.10 0.00 0.00 70.33 68.38 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 -1.92 0.95 -1.28 -0.78 -1.94 -1.26 -2.23 119.30 110.84 2hde s MET 110 Ca 0.00 -1.26 -0.12 0.00 -1.71 0.00 0.00 55.69 52.60 2hde s MET 110 Cb 0.00 0.30 0.15 0.00 2.01 0.00 0.00 34.83 37.28 2hde s MET 110 CO 0.00 -0.30 1.77 0.43 -0.01 0.00 0.00 175.02 176.91 2hde n SER 111 N -0.10 4.98 0.00 3.03 7.64 -1.00 -3.88 113.62 124.29 2hde n SER 111 Ca -0.08 -3.02 0.00 0.00 1.01 0.00 0.00 58.87 56.77 2hde n SER 111 Cb 0.63 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 2hde n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hde n GLY 112 N 3.56 1.57 2.72 0.23 0.00 -1.26 -3.64 105.19 108.37 2hde n GLY 112 Ca 0.41 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.16 2hde n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hde s ARG 113 N -0.20 0.54 -0.40 1.61 0.52 -1.25 -5.00 118.95 114.76 2hde s ARG 113 Ca 0.00 -0.31 -0.27 0.00 -0.52 0.00 0.00 55.73 54.63 2hde s ARG 113 Cb 0.00 -1.94 -0.04 0.00 0.52 0.00 0.00 34.95 33.49 2hde s ARG 113 CO 0.00 -0.61 2.10 0.15 0.02 0.00 0.00 175.30 176.96 2hde s LYS 114 N 1.92 2.78 0.07 3.54 1.02 -1.26 -4.00 119.74 123.81 2hde s LYS 114 Ca 0.00 1.44 -0.00 0.00 0.02 0.00 0.00 55.97 57.43 2hde s LYS 114 Cb -0.16 -4.39 0.01 0.00 -0.52 0.00 0.00 37.83 32.77 2hde s LYS 114 CO -0.08 -2.51 0.10 0.41 -0.92 0.00 0.00 175.35 172.35 2hde n GLY 115 N 5.74 0.39 0.11 -3.33 0.00 -1.26 -5.02 105.19 101.82 2hde n GLY 115 Ca 0.28 -1.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.24 2hde n GLY 115 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2hde h THR 116 N -0.53 0.99 0.00 2.61 2.02 -1.93 -3.34 112.91 112.73 2hde h THR 116 Ca -0.03 -2.69 -0.06 0.00 0.77 0.00 0.00 66.41 64.39 2hde h THR 116 Cb 0.11 2.64 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 2hde h THR 116 CO 0.03 0.77 -0.30 0.44 0.37 0.00 0.00 175.52 176.83 2hde h ASP 117 N 0.05 0.00 -0.78 4.18 5.19 -1.96 -3.32 116.42 119.78 2hde h ASP 117 Ca -0.28 0.00 0.18 0.00 -0.62 0.00 0.00 57.03 56.31 2hde h ASP 117 Cb 2.01 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 41.39 2hde h ASP 117 CO 0.13 0.30 0.00 0.44 -3.12 0.00 0.00 179.24 176.99 2hde h ASP 118 N 0.00 -0.37 0.60 6.45 3.32 -1.83 1.00 116.42 125.58 2hde h ASP 118 Ca -0.00 0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2hde h ASP 118 Cb 1.13 0.36 0.00 0.00 0.22 0.00 0.00 39.33 41.04 2hde h ASP 118 CO 0.04 -0.20 0.00 -1.20 -1.72 0.00 0.00 179.24 176.16 2hde n SER 119 N -5.37 0.18 -4.81 6.45 7.64 -1.25 -1.90 113.62 114.57 2hde n SER 119 Ca 0.14 0.54 -0.33 0.00 1.01 0.00 0.00 58.87 60.24 2hde n SER 119 Cb 0.50 -0.58 -0.01 0.00 -1.01 0.00 0.00 64.21 63.10 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 -3.08 3.63 0.14 1.43 0.00 0.34 -4.79 119.30 116.97 2hde s MET 120 Ca 0.07 1.17 0.04 0.00 0.00 0.00 0.00 55.69 56.97 2hde s MET 120 Cb 0.10 -2.08 -0.04 0.00 0.00 0.00 0.00 34.83 32.81 2hde s MET 120 CO 0.32 -0.55 0.13 0.95 0.00 0.00 0.00 175.02 175.87 2hde s THR 121 N -2.38 4.57 0.11 10.11 -4.23 -1.26 0.90 115.64 123.46 2hde s THR 121 Ca 0.63 -0.96 -0.20 0.00 -1.18 0.00 0.00 61.69 59.97 2hde s THR 121 Cb -0.14 -3.30 -0.09 0.00 1.34 0.00 0.00 72.50 70.31 2hde s THR 121 CO 0.30 -0.04 1.74 -0.07 -0.54 0.00 0.00 174.62 176.01 2hde h LEU 122 N 2.63 0.19 -1.99 4.79 3.38 -0.34 -2.68 115.31 121.29 2hde h LEU 122 Ca -0.47 -0.03 0.51 0.00 0.09 0.00 0.00 57.88 57.97 2hde h LEU 122 Cb 1.19 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.82 2hde h LEU 122 CO 0.64 0.17 1.27 0.06 0.09 0.00 0.00 178.44 180.67 2hde h GLN 123 N 0.20 0.00 0.00 1.13 3.07 -0.67 1.37 115.11 120.20 2hde h GLN 123 Ca 0.06 -0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.68 2hde h GLN 123 Cb 0.01 -0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.55 2hde h GLN 123 CO -0.01 0.00 -0.57 1.03 0.09 0.00 0.00 178.83 179.37 2hde h SER 124 N 0.00 0.00 -0.28 0.06 0.87 -1.78 -3.05 113.55 109.37 2hde h SER 124 Ca 0.84 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.40 2hde h SER 124 Cb 3.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 65.32 2hde h SER 124 CO -0.02 0.57 0.00 0.00 -0.53 0.00 0.00 176.83 176.86 2hde n GLN 125 N -3.44 2.09 -2.40 2.24 1.13 0.47 -4.87 117.38 112.61 2hde n GLN 125 Ca 0.00 -1.20 -0.14 0.00 -1.94 0.00 0.00 57.00 53.72 2hde n GLN 125 Cb 0.68 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.56 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 0.35 -1.68 -3.14 -1.09 5.02 -1.15 -4.98 118.16 111.49 2hde n LYS 126 Ca 0.11 0.66 -0.40 0.00 -2.02 0.00 0.00 58.31 56.66 2hde n LYS 126 Cb 0.42 -4.92 -0.06 0.00 -0.02 0.00 0.00 35.03 30.44 2hde n LYS 126 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2hde s PHE 127 N -2.77 3.35 0.20 2.13 2.19 -1.17 -5.03 117.98 116.87 2hde s PHE 127 Ca 0.05 0.87 0.04 0.00 0.33 0.00 0.00 56.93 58.22 2hde s PHE 127 Cb -0.02 -2.79 -0.01 0.00 -1.31 0.00 0.00 43.02 38.88 2hde s PHE 127 CO 0.07 -0.21 0.14 1.04 1.83 0.00 0.00 175.22 178.09 2hde n GLN 128 N 5.20 0.36 -1.99 10.12 6.02 -1.26 -4.32 117.38 131.50 2hde n GLN 128 Ca -0.02 -1.89 -0.42 0.00 -0.01 0.00 0.00 57.00 54.66 2hde n GLN 128 Cb 0.50 1.42 -0.03 0.00 1.02 0.00 0.00 30.24 33.14 2hde n GLN 128 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2hde s ILE 129 N -2.67 2.86 0.00 5.09 1.01 -1.26 -1.96 121.20 124.27 2hde s ILE 129 Ca 0.20 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.43 2hde s ILE 129 Cb 0.01 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 39.11 2hde s ILE 129 CO 0.14 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.73 2hde n GLY 130 N 3.73 1.94 3.63 6.18 0.00 -1.26 -5.03 105.19 114.37 2hde n GLY 130 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2hde n GLY 130 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2hde n ASP 131 N 0.00 0.07 -4.24 1.61 2.03 -0.83 -4.94 116.55 110.25 2hde n ASP 131 Ca 0.00 0.44 -0.37 0.00 0.52 0.00 0.00 54.79 55.38 2hde n ASP 131 Cb 0.00 -1.44 -0.13 0.00 -0.72 0.00 0.00 41.12 38.83 2hde n ASP 131 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2hde s TYR 132 N -2.49 3.27 -0.16 -0.67 2.02 -1.26 -4.36 117.35 113.69 2hde s TYR 132 Ca 0.67 -1.59 -0.05 0.00 -0.37 0.00 0.00 57.07 55.73 2hde s TYR 132 Cb -0.24 -2.25 -0.03 0.00 -0.40 0.00 0.00 41.96 39.03 2hde s TYR 132 CO 0.58 -0.76 -0.01 -0.51 -1.57 0.00 0.00 175.55 173.28 2hde s LEU 133 N 1.35 3.43 -0.37 -1.29 1.43 -1.14 -1.80 118.68 120.29 2hde s LEU 133 Ca -0.03 -0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.00 2hde s LEU 133 Cb -0.20 -1.84 0.09 0.00 0.03 0.00 0.00 46.19 44.27 2hde s LEU 133 CO 0.01 0.17 0.12 -0.62 0.23 0.00 0.00 176.35 176.27 2hde s ASP 134 N 0.35 5.08 0.07 2.29 -1.08 0.15 -1.45 116.67 122.07 2hde s ASP 134 Ca -0.02 -1.82 -0.20 0.00 -0.52 0.00 0.00 52.55 49.99 2hde s ASP 134 Cb -0.14 -1.77 -0.07 0.00 -1.46 0.00 0.00 42.92 39.49 2hde s ASP 134 CO 0.02 -0.43 0.59 -0.63 0.52 0.00 0.00 175.17 175.24 2hde s ILE 135 N 1.14 4.74 -0.50 4.11 1.09 0.13 -1.84 121.20 130.07 2hde s ILE 135 Ca 0.05 1.27 -0.06 0.00 -1.10 0.00 0.00 60.65 60.81 2hde s ILE 135 Cb -0.21 -3.93 0.13 0.00 -1.06 0.00 0.00 42.46 37.39 2hde s ILE 135 CO -0.04 0.52 0.34 0.00 -0.10 0.00 0.00 174.94 175.66 2hde s ALA 136 N -0.92 3.39 -0.12 9.38 0.00 0.22 -2.68 121.76 131.03 2hde s ALA 136 Ca 0.30 -2.73 -0.26 0.00 0.00 0.00 0.00 51.96 49.26 2hde s ALA 136 Cb -0.20 -2.68 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 2hde s ALA 136 CO 0.19 -1.93 0.85 0.42 0.00 0.00 0.00 175.76 175.29 2hde s ILE 137 N 0.92 4.90 -0.27 0.00 1.01 -0.83 -1.36 121.20 125.57 2hde s ILE 137 Ca 0.10 1.71 0.03 0.00 0.00 0.00 0.00 60.65 62.49 2hde s ILE 137 Cb -0.23 -4.17 0.06 0.00 0.01 0.00 0.00 42.46 38.14 2hde s ILE 137 CO -0.03 0.09 -0.09 -0.89 0.00 0.00 0.00 174.94 174.02 2hde s THR 138 N 1.69 2.17 0.77 2.92 2.01 0.14 0.11 115.64 125.45 2hde s THR 138 Ca 0.41 -1.72 -0.15 0.00 0.31 0.00 0.00 61.69 60.55 2hde s THR 138 Cb -0.18 -2.32 0.05 0.00 0.01 0.00 0.00 72.50 70.06 2hde s THR 138 CO 0.16 -0.10 1.13 -2.65 -0.69 0.00 0.00 174.62 172.47 2hde n PRO 139 N 4.41 0.39 0.00 4.92 -0.02 -1.26 -1.20 135.00 142.24 2hde n PRO 139 Ca -0.12 0.20 0.10 0.00 -2.02 0.00 0.00 63.50 61.66 2hde n PRO 139 Cb 0.42 -2.37 0.53 0.00 -0.02 0.00 0.00 33.50 32.06 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 -2.64 0.32 0.11 0.52 -0.04 -1.26 -2.75 135.00 129.25 2hde n PRO 140 Ca 0.14 0.08 -0.01 0.00 -0.04 0.00 0.00 63.50 63.67 2hde n PRO 140 Cb 0.50 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 2hde n PRO 140 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2hde h ASN 141 N 0.00 0.00 0.00 3.54 -0.26 -1.94 -3.31 115.58 113.62 2hde h ASN 141 Ca 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 2hde h ASN 141 Cb 0.18 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.42 2hde h ASN 141 CO 0.00 0.67 -0.26 -1.14 -1.06 0.00 0.00 177.43 175.64 2hde n ARG 142 N -3.25 1.21 -3.46 0.81 3.00 -1.12 -4.95 116.66 108.89 2hde n ARG 142 Ca 0.01 -2.66 -0.43 0.00 -0.00 0.00 0.00 57.85 54.76 2hde n ARG 142 Cb 0.81 -1.38 -0.06 0.00 0.00 0.00 0.00 32.46 31.83 2hde n ARG 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2hde s ALA 143 N -2.61 3.72 0.42 5.13 0.00 -1.11 -4.95 121.76 122.36 2hde s ALA 143 Ca 0.31 -2.96 0.09 0.00 0.00 0.00 0.00 51.96 49.41 2hde s ALA 143 Cb 0.29 -3.12 0.90 0.00 0.00 0.00 0.00 23.12 21.19 2hde s ALA 143 CO -0.02 -2.10 2.03 -1.00 0.00 0.00 0.00 175.76 174.67 2hde h PRO 144 N 8.01 0.36 0.52 0.00 0.13 -1.92 -3.24 132.00 135.86 2hde h PRO 144 Ca -0.07 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.99 2hde h PRO 144 Cb 1.04 -0.07 0.01 0.00 0.13 0.00 0.00 31.00 32.10 2hde h PRO 144 CO 0.83 0.31 -0.25 -1.35 -0.23 0.00 0.00 178.00 177.30 2hde h PRO 145 N 0.37 -0.68 -6.42 1.56 0.11 -1.99 -3.45 132.00 121.50 2hde h PRO 145 Ca 0.09 0.05 -0.41 0.00 0.11 0.00 0.00 66.00 65.84 2hde h PRO 145 Cb 0.08 0.15 0.22 0.00 0.11 0.00 0.00 31.00 31.57 2hde h PRO 145 CO -0.01 -0.40 -1.23 -2.30 -0.21 0.00 0.00 178.00 173.85 2hde n PRO 146 N -5.34 -1.47 -2.44 1.05 -0.02 -1.23 -4.89 135.00 120.67 2hde n PRO 146 Ca -0.12 -0.42 -0.41 0.00 -2.02 0.00 0.00 63.50 60.53 2hde n PRO 146 Cb 0.31 -1.52 -0.04 0.00 -0.02 0.00 0.00 33.50 32.23 2hde n PRO 146 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2hde s SER 147 N -1.71 7.18 0.00 2.55 1.04 -1.26 -4.68 113.70 116.82 2hde s SER 147 Ca 0.48 2.22 0.00 0.00 0.48 0.00 0.00 55.95 59.13 2hde s SER 147 Cb -0.06 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.44 2hde s SER 147 CO 0.59 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.16 2hde n GLY 148 N 1.78 -1.72 0.00 7.32 0.00 -1.26 -5.12 105.19 106.18 2hde n GLY 148 Ca 0.02 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.64 2hde n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86