#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hff s VAL 2 N 0.00 4.44 -0.10 3.84 1.01 -1.26 -4.06 120.40 124.27 2hff s VAL 2 Ca 0.00 1.75 -0.26 0.00 0.00 0.00 0.00 61.98 63.47 2hff s VAL 2 Cb 0.00 -4.12 0.06 0.00 0.00 0.00 0.00 36.38 32.32 2hff s VAL 2 CO 0.00 0.01 0.61 -1.58 0.00 0.00 0.00 175.10 174.14 2hff s GLN 3 N 2.06 0.91 -0.10 2.72 0.74 -0.52 -5.00 119.66 120.46 2hff s GLN 3 Ca 0.53 0.39 0.02 0.00 0.05 0.00 0.00 55.36 56.35 2hff s GLN 3 Cb -0.23 0.43 -0.01 0.00 1.10 0.00 0.00 33.01 34.30 2hff s GLN 3 CO 0.21 -0.24 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.04 2hff s LEU 4 N -0.75 2.52 -0.16 3.68 1.43 -1.26 -1.02 118.68 123.13 2hff s LEU 4 Ca -0.08 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 2hff s LEU 4 Cb -0.02 -1.53 0.03 0.00 0.03 0.00 0.00 46.19 44.70 2hff s LEU 4 CO 0.06 0.20 -0.10 -0.69 0.23 0.00 0.00 176.35 176.05 2hff s VAL 5 N 0.12 1.38 0.23 -1.59 1.01 -0.65 -4.15 120.40 116.75 2hff s VAL 5 Ca -0.08 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 2hff s VAL 5 Cb -0.15 -1.41 -0.07 0.00 0.00 0.00 0.00 36.38 34.76 2hff s VAL 5 CO 0.05 0.30 0.53 -1.61 0.00 0.00 0.00 175.10 174.37 2hff s GLU 6 N 1.54 3.74 0.18 2.72 2.02 -1.26 -1.74 118.70 125.91 2hff s GLU 6 Ca 0.03 0.16 -0.09 0.00 0.02 0.00 0.00 54.97 55.09 2hff s GLU 6 Cb -0.14 -2.67 -0.01 0.00 0.10 0.00 0.00 34.13 31.41 2hff s GLU 6 CO -0.09 0.31 0.32 -1.54 0.02 0.00 0.00 175.26 174.28 2hff s SER 7 N -2.55 0.01 0.00 -0.19 1.04 -0.60 -4.98 113.70 106.43 2hff s SER 7 Ca 0.46 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.98 2hff s SER 7 Cb -0.11 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2hff s SER 7 CO 0.24 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.12 2hff n GLY 8 N -0.26 0.76 3.94 7.32 0.00 -1.26 -1.19 105.19 114.50 2hff n GLY 8 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 2hff n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2hff s GLY 9 N -1.09 1.76 0.00 -0.02 0.00 -1.26 -4.57 107.32 102.14 2hff s GLY 9 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.45 2hff s GLY 9 CO 0.00 -0.57 0.00 0.61 0.00 0.00 0.00 173.10 173.14 2hff n GLY 10 N -3.53 0.36 3.76 0.20 0.00 -0.48 -4.98 105.19 100.52 2hff n GLY 10 Ca 0.15 -1.57 -0.38 0.00 0.00 0.00 0.00 46.02 44.22 2hff n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2hff s LEU 11 N 0.00 4.34 0.03 0.99 2.96 -1.26 -1.14 118.68 124.59 2hff s LEU 11 Ca 0.00 0.81 -0.05 0.00 -0.22 0.00 0.00 54.13 54.67 2hff s LEU 11 Cb 0.00 -2.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.09 2hff s LEU 11 CO 0.00 0.13 0.08 0.54 -1.32 0.00 0.00 176.35 175.78 2hff s VAL 12 N 0.00 0.12 0.52 1.68 0.11 -0.15 -4.97 120.40 117.71 2hff s VAL 12 Ca 0.23 -0.98 -0.19 0.00 -2.93 0.00 0.00 61.98 58.12 2hff s VAL 12 Cb -0.15 -0.67 -0.07 0.00 -1.53 0.00 0.00 36.38 33.96 2hff s VAL 12 CO 0.10 -0.54 1.04 -1.10 -3.33 0.00 0.00 175.10 171.27 2hff s GLN 13 N -2.10 3.69 0.33 1.54 -1.52 -1.26 -1.00 119.66 119.34 2hff s GLN 13 Ca -0.09 1.27 -0.29 0.00 -1.95 0.00 0.00 55.36 54.30 2hff s GLN 13 Cb -0.04 -2.08 -0.11 0.00 -0.22 0.00 0.00 33.01 30.56 2hff s GLN 13 CO -0.02 -0.52 1.47 -2.14 -0.25 0.00 0.00 175.29 173.83 2hff s PRO 14 N -3.56 4.18 0.00 2.91 0.02 -1.26 -1.53 135.00 135.76 2hff s PRO 14 Ca 0.65 2.47 0.00 0.00 0.02 0.00 0.00 61.00 64.14 2hff s PRO 14 Cb -0.15 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.35 2hff s PRO 14 CO 0.26 -0.47 0.00 0.41 -0.33 0.00 0.00 177.00 176.86 2hff n GLY 15 N 1.17 1.34 1.87 0.52 0.00 0.15 -4.93 105.19 105.31 2hff n GLY 15 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 2hff n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hff n GLY 16 N -2.00 -1.05 3.20 -0.02 0.00 -0.58 -4.00 105.19 100.74 2hff n GLY 16 Ca 0.00 -1.73 -0.18 0.00 0.00 0.00 0.00 46.02 44.11 2hff n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hff s SER 17 N -3.31 1.81 -0.08 1.61 0.01 -1.26 -2.39 113.70 110.10 2hff s SER 17 Ca 0.36 -0.72 -0.15 0.00 1.31 0.00 0.00 55.95 56.74 2hff s SER 17 Cb -0.01 -0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.20 2hff s SER 17 CO 0.25 -0.12 0.37 -0.22 0.41 0.00 0.00 173.24 173.93 2hff s LEU 18 N -2.12 0.59 -0.18 2.44 2.96 -0.21 -5.01 118.68 117.15 2hff s LEU 18 Ca 0.04 0.45 0.00 0.00 -0.22 0.00 0.00 54.13 54.39 2hff s LEU 18 Cb -0.07 1.39 0.01 0.00 0.50 0.00 0.00 46.19 48.02 2hff s LEU 18 CO 0.02 -0.32 -0.16 -0.60 -1.32 0.00 0.00 176.35 173.97 2hff s ARG 19 N -0.63 3.09 0.17 1.98 3.52 -1.26 -0.23 118.95 125.59 2hff s ARG 19 Ca -0.07 -0.78 -0.08 0.00 -0.13 0.00 0.00 55.73 54.66 2hff s ARG 19 Cb -0.04 -2.66 -0.06 0.00 -1.56 0.00 0.00 34.95 30.63 2hff s ARG 19 CO 0.03 -0.18 0.47 -0.51 -0.81 0.00 0.00 175.30 174.30 2hff s LEU 20 N 1.26 4.24 0.12 -0.88 1.43 0.14 -4.56 118.68 120.43 2hff s LEU 20 Ca 0.04 0.79 0.09 0.00 -1.03 0.00 0.00 54.13 54.02 2hff s LEU 20 Cb -0.14 -3.42 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 2hff s LEU 20 CO -0.09 0.02 -0.22 -0.44 0.23 0.00 0.00 176.35 175.85 2hff s SER 21 N -2.26 2.70 -0.28 2.29 0.01 -0.33 -1.13 113.70 114.70 2hff s SER 21 Ca 0.42 -0.72 -0.03 0.00 1.31 0.00 0.00 55.95 56.92 2hff s SER 21 Cb -0.12 -0.16 0.09 0.00 0.21 0.00 0.00 66.02 66.05 2hff s SER 21 CO 0.22 0.07 0.12 0.00 0.41 0.00 0.00 173.24 174.05 2hff s ALA 23 N 2.00 3.57 -0.09 0.00 0.00 -0.71 -1.25 121.76 125.27 2hff s ALA 23 Ca 0.08 -0.63 -0.10 0.00 0.00 0.00 0.00 51.96 51.32 2hff s ALA 23 Cb -0.16 -2.62 -0.05 0.00 0.00 0.00 0.00 23.12 20.29 2hff s ALA 23 CO -0.31 -0.37 0.23 0.00 0.00 0.00 0.00 175.76 175.31 2hff s ALA 24 N 1.46 3.79 -0.01 0.00 0.00 -0.79 -1.63 121.76 124.58 2hff s ALA 24 Ca 0.17 -0.51 0.05 0.00 0.00 0.00 0.00 51.96 51.67 2hff s ALA 24 Cb -0.15 -2.14 -0.01 0.00 0.00 0.00 0.00 23.12 20.82 2hff s ALA 24 CO 0.08 0.51 -0.16 -1.12 0.00 0.00 0.00 175.76 175.07 2hff s SER 25 N -0.83 1.84 0.00 0.00 0.01 -0.19 -4.80 113.70 109.74 2hff s SER 25 Ca 0.17 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.13 2hff s SER 25 Cb -0.13 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.90 2hff s SER 25 CO 0.06 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.50 2hff n GLY 26 N 2.63 1.16 3.32 3.44 0.00 -1.26 -1.43 105.19 113.05 2hff n GLY 26 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 2hff n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2hff s PHE 27 N -2.76 -0.01 -0.24 1.61 -0.71 -1.26 -4.79 117.98 109.82 2hff s PHE 27 Ca 0.00 -0.35 -0.13 0.00 -1.04 0.00 0.00 56.93 55.41 2hff s PHE 27 Cb 0.00 0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.92 2hff s PHE 27 CO 0.00 -0.70 0.28 0.95 -1.34 0.00 0.00 175.22 174.41 2hff s THR 28 N -3.85 5.27 0.42 -4.49 -4.23 -1.26 -4.90 115.64 102.59 2hff s THR 28 Ca 0.07 0.42 0.25 0.00 -1.18 0.00 0.00 61.69 61.24 2hff s THR 28 Cb 0.02 -3.61 0.27 0.00 1.34 0.00 0.00 72.50 70.53 2hff s THR 28 CO -0.08 0.27 2.05 0.16 -0.54 0.00 0.00 174.62 176.48 2hff h ILE 29 N 5.13 0.66 0.00 2.99 3.07 -1.94 -1.47 117.51 125.95 2hff h ILE 29 Ca -0.36 -0.56 0.00 0.00 1.55 0.00 0.00 64.86 65.49 2hff h ILE 29 Cb 1.17 1.35 0.00 0.00 -0.27 0.00 0.00 36.82 39.07 2hff h ILE 29 CO 0.66 0.13 0.00 -1.54 -1.05 0.00 0.00 178.15 176.35 2hff n SER 30 N -3.75 0.53 0.06 2.16 3.41 -1.26 -2.56 113.62 112.21 2hff n SER 30 Ca -0.02 0.67 0.13 0.00 -0.26 0.00 0.00 58.87 59.39 2hff n SER 30 Cb 0.24 -0.77 0.38 0.00 -0.26 0.00 0.00 64.21 63.80 2hff n SER 30 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2hff n SER 31 N -2.13 0.57 -0.33 4.04 7.64 -0.55 -4.16 113.62 118.69 2hff n SER 31 Ca 0.01 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.24 2hff n SER 31 Cb 0.14 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 2hff n SER 31 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2hff n ASN 32 N -1.97 0.00 -4.69 6.43 4.13 -1.06 -5.04 115.26 113.06 2hff n ASN 32 Ca 0.05 -0.33 -0.24 0.00 1.68 0.00 0.00 54.58 55.74 2hff n ASN 32 Cb 0.40 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.57 2hff n ASN 32 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2hff s SER 33 N 0.39 4.85 -0.08 6.41 1.04 -1.07 -4.22 113.70 121.01 2hff s SER 33 Ca 0.00 -0.47 0.03 0.00 0.48 0.00 0.00 55.95 56.00 2hff s SER 33 Cb 0.00 -1.03 0.01 0.00 0.10 0.00 0.00 66.02 65.09 2hff s SER 33 CO 0.00 0.02 -0.19 -0.63 0.98 0.00 0.00 173.24 173.43 2hff s ILE 34 N -2.07 1.64 0.06 -1.02 -1.09 -0.22 -1.95 121.20 116.54 2hff s ILE 34 Ca 0.30 -0.78 0.08 0.00 -2.23 0.00 0.00 60.65 58.02 2hff s ILE 34 Cb -0.08 -1.44 -0.03 0.00 -1.58 0.00 0.00 42.46 39.33 2hff s ILE 34 CO 0.21 0.47 -0.21 -1.00 -1.23 0.00 0.00 174.94 173.18 2hff s HIS 35 N 0.45 2.48 -0.12 3.97 3.76 0.30 -1.43 115.29 124.71 2hff s HIS 35 Ca -0.16 -0.30 -0.01 0.00 -0.15 0.00 0.00 55.06 54.44 2hff s HIS 35 Cb -0.17 -1.42 -0.02 0.00 1.11 0.00 0.00 32.58 32.08 2hff s HIS 35 CO 0.06 0.25 -0.08 -1.58 -0.85 0.00 0.00 174.74 172.54 2hff s TRP 36 N -0.94 2.93 0.01 1.40 0.52 -0.25 -0.72 118.94 121.88 2hff s TRP 36 Ca 0.14 -0.28 0.03 0.00 0.02 0.00 0.00 56.10 56.02 2hff s TRP 36 Cb -0.10 -1.83 -0.01 0.00 -1.15 0.00 0.00 33.47 30.37 2hff s TRP 36 CO 0.05 0.05 -0.10 0.08 0.02 0.00 0.00 176.95 177.06 2hff s VAL 37 N -0.07 0.74 0.18 4.03 1.01 0.10 -1.08 120.40 125.30 2hff s VAL 37 Ca 0.00 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.45 2hff s VAL 37 Cb -0.13 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 2hff s VAL 37 CO 0.03 0.07 -0.12 0.00 0.00 0.00 0.00 175.10 175.08 2hff s ARG 38 N -0.59 1.20 -0.15 2.72 1.70 0.23 0.02 118.95 124.08 2hff s ARG 38 Ca 0.01 -1.52 -0.03 0.00 -0.47 0.00 0.00 55.73 53.71 2hff s ARG 38 Cb -0.05 -0.89 0.05 0.00 -0.57 0.00 0.00 34.95 33.49 2hff s ARG 38 CO 0.00 0.13 0.05 -1.14 -1.08 0.00 0.00 175.30 173.27 2hff s GLN 39 N -3.69 0.36 0.50 3.89 0.74 -0.04 -0.93 119.66 120.48 2hff s GLN 39 Ca 0.20 -0.14 -0.18 0.00 0.05 0.00 0.00 55.36 55.29 2hff s GLN 39 Cb 0.01 -1.68 -0.08 0.00 1.10 0.00 0.00 33.01 32.36 2hff s GLN 39 CO 0.04 -0.57 0.99 0.00 -0.55 0.00 0.00 175.29 175.20 2hff s ALA 40 N 2.01 2.98 -0.19 1.58 0.00 -1.26 -1.47 121.76 125.40 2hff s ALA 40 Ca 0.02 0.35 -0.40 0.00 0.00 0.00 0.00 51.96 51.93 2hff s ALA 40 Cb -0.15 -3.17 -0.16 0.00 0.00 0.00 0.00 23.12 19.64 2hff s ALA 40 CO -0.07 -0.22 1.62 -2.30 0.00 0.00 0.00 175.76 174.79 2hff n PRO 41 N -1.25 1.08 -1.69 0.00 -0.02 -1.26 -1.04 135.00 130.81 2hff n PRO 41 Ca 0.07 0.39 -0.19 0.00 -2.02 0.00 0.00 63.50 61.76 2hff n PRO 41 Cb 0.54 -2.05 -0.07 0.00 -0.02 0.00 0.00 33.50 31.90 2hff n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hff n GLY 42 N 3.71 1.39 3.65 -1.23 0.00 -1.26 -5.00 105.19 106.46 2hff n GLY 42 Ca 0.25 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2hff n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hff s LYS 43 N -3.83 2.02 0.92 1.61 -0.14 -0.20 -5.16 119.74 114.96 2hff s LYS 43 Ca 0.00 -2.18 -0.14 0.00 -1.36 0.00 0.00 55.97 52.28 2hff s LYS 43 Cb 0.00 -1.59 0.18 0.00 -1.68 0.00 0.00 37.83 34.74 2hff s LYS 43 CO 0.00 -0.14 1.27 0.20 -0.76 0.00 0.00 175.35 175.93 2hff s GLY 44 N -3.75 1.75 0.31 -3.33 0.00 -1.26 -4.61 107.32 96.43 2hff s GLY 44 Ca 0.27 -1.17 -0.29 0.00 0.00 0.00 0.00 44.72 43.54 2hff s GLY 44 CO 0.14 -0.45 1.29 1.08 0.00 0.00 0.00 173.10 175.16 2hff s LEU 45 N -5.78 4.44 -0.10 0.66 1.43 -1.26 -4.42 118.68 113.64 2hff s LEU 45 Ca 0.72 2.61 -0.01 0.00 -1.03 0.00 0.00 54.13 56.42 2hff s LEU 45 Cb -0.05 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.56 2hff s LEU 45 CO 0.52 -0.50 -0.05 -0.70 0.23 0.00 0.00 176.35 175.84 2hff s GLU 46 N -1.48 1.24 0.27 1.70 2.12 -0.11 -4.99 118.70 117.45 2hff s GLU 46 Ca 0.50 -0.14 -0.29 0.00 0.36 0.00 0.00 54.97 55.40 2hff s GLU 46 Cb -0.39 -1.39 -0.10 0.00 0.26 0.00 0.00 34.13 32.51 2hff s GLU 46 CO 0.49 -0.28 1.30 -0.46 -0.54 0.00 0.00 175.26 175.78 2hff s TRP 47 N 1.79 3.16 -0.15 5.30 -0.00 -1.26 -0.60 118.94 127.18 2hff s TRP 47 Ca 0.05 1.33 -0.08 0.00 -0.00 0.00 0.00 56.10 57.40 2hff s TRP 47 Cb -0.12 -3.63 -0.07 0.00 -0.00 0.00 0.00 33.47 29.65 2hff s TRP 47 CO -0.07 -1.83 -0.21 0.28 -0.00 0.00 0.00 176.95 175.12 2hff n VAL 48 N 1.60 0.94 -3.54 5.86 0.31 -0.24 -4.60 118.33 118.65 2hff n VAL 48 Ca 0.03 -0.18 -0.08 0.00 -0.01 0.00 0.00 64.34 64.10 2hff n VAL 48 Cb 0.42 -1.75 -0.02 0.00 -0.91 0.00 0.00 33.84 31.58 2hff n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hff s ALA 49 N -2.32 -1.78 0.06 3.52 0.00 -1.16 -0.87 121.76 119.21 2hff s ALA 49 Ca -0.22 0.83 -0.00 0.00 0.00 0.00 0.00 51.96 52.56 2hff s ALA 49 Cb 0.08 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 2hff s ALA 49 CO 0.28 -0.75 -0.04 1.67 0.00 0.00 0.00 175.76 176.92 2hff s TRP 50 N -3.19 0.58 -0.02 0.00 1.48 -0.56 -1.09 118.94 116.13 2hff s TRP 50 Ca 0.06 -0.98 -0.02 0.00 -1.06 0.00 0.00 56.10 54.10 2hff s TRP 50 Cb -0.01 -0.40 0.01 0.00 -1.16 0.00 0.00 33.47 31.91 2hff s TRP 50 CO -0.07 -0.31 0.06 -1.50 -4.06 0.00 0.00 176.95 171.06 2hff s ILE 51 N -3.61 -0.01 -0.52 0.66 2.07 -0.51 -1.41 121.20 117.88 2hff s ILE 51 Ca 0.06 0.02 -0.11 0.00 -1.41 0.00 0.00 60.65 59.20 2hff s ILE 51 Cb 0.06 -0.09 0.13 0.00 0.13 0.00 0.00 42.46 42.68 2hff s ILE 51 CO -0.08 0.01 0.42 0.42 -1.91 0.00 0.00 174.94 173.80 2hff s THR 52 N 0.14 4.58 0.58 4.00 -4.23 -0.56 -1.06 115.64 119.09 2hff s THR 52 Ca -0.01 -1.78 0.43 0.00 -1.18 0.00 0.00 61.69 59.15 2hff s THR 52 Cb -0.02 -3.98 0.44 0.00 1.34 0.00 0.00 72.50 70.28 2hff s THR 52 CO -0.00 -0.82 2.32 -0.65 -0.54 0.00 0.00 174.62 174.92 2hff h PRO 52 N 8.50 0.00 -0.95 3.99 0.11 -1.80 0.31 132.00 142.17 2hff h PRO 52 Ca -0.21 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.89 2hff h PRO 52 Cb 1.08 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 2hff h PRO 52 CO 0.91 0.00 0.58 0.66 -0.21 0.00 0.00 178.00 179.94 2hff h SER 53 N 0.00 1.14 0.00 -2.05 4.64 -1.86 -3.33 113.55 112.09 2hff h SER 53 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2hff h SER 53 Cb 0.04 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 61.85 2hff h SER 53 CO 0.00 0.87 -0.24 -0.90 -0.87 0.00 0.00 176.83 175.68 2hff n ASP 54 N -4.36 1.10 0.00 4.97 5.68 -0.92 -5.03 116.55 117.98 2hff n ASP 54 Ca 0.11 -0.40 0.00 0.00 -0.50 0.00 0.00 54.79 54.00 2hff n ASP 54 Cb 0.05 1.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.04 2hff n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hff n GLY 55 N 1.33 0.60 3.77 6.12 0.00 0.11 -5.04 105.19 112.09 2hff n GLY 55 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2hff n GLY 55 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2hff s ASN 56 N -2.10 6.31 0.17 1.61 2.47 -1.23 -4.83 114.94 117.34 2hff s ASN 56 Ca 0.00 2.47 -0.00 0.00 0.42 0.00 0.00 52.86 55.75 2hff s ASN 56 Cb 0.00 -2.62 -0.04 0.00 -1.45 0.00 0.00 41.25 37.14 2hff s ASN 56 CO 0.00 -0.83 0.07 0.42 -3.72 0.00 0.00 177.10 173.04 2hff s THR 57 N -1.37 0.21 0.04 -5.21 -4.23 -1.26 -1.50 115.64 102.32 2hff s THR 57 Ca 0.59 -1.96 -0.18 0.00 -1.18 0.00 0.00 61.69 58.96 2hff s THR 57 Cb -0.34 -2.25 0.04 0.00 1.34 0.00 0.00 72.50 71.29 2hff s THR 57 CO 0.42 -0.28 0.41 -0.62 -0.54 0.00 0.00 174.62 174.01 2hff s ASP 58 N -3.13 -0.28 0.07 3.99 2.15 -0.50 -4.98 116.67 114.00 2hff s ASP 58 Ca 0.30 -0.01 0.05 0.00 0.43 0.00 0.00 52.55 53.32 2hff s ASP 58 Cb 0.07 0.42 -0.03 0.00 -0.30 0.00 0.00 42.92 43.09 2hff s ASP 58 CO 0.06 -0.66 -0.13 -0.31 -0.17 0.00 0.00 175.17 173.96 2hff s TYR 59 N -2.48 1.12 0.45 -5.34 1.51 -1.26 -1.49 117.35 109.87 2hff s TYR 59 Ca -0.05 -0.48 -0.25 0.00 -1.01 0.00 0.00 57.07 55.28 2hff s TYR 59 Cb -0.01 -0.63 -0.08 0.00 -0.11 0.00 0.00 41.96 41.13 2hff s TYR 59 CO -0.02 0.03 1.37 0.00 -1.11 0.00 0.00 175.55 175.82 2hff s ALA 60 N -1.38 3.17 0.39 3.71 0.00 -0.05 -4.86 121.76 122.75 2hff s ALA 60 Ca -0.03 1.36 0.11 0.00 0.00 0.00 0.00 51.96 53.41 2hff s ALA 60 Cb -0.09 -3.55 0.91 0.00 0.00 0.00 0.00 23.12 20.39 2hff s ALA 60 CO 0.02 -1.09 1.91 -0.44 0.00 0.00 0.00 175.76 176.16 2hff h ASP 61 N 2.28 0.53 0.53 0.00 5.19 -1.94 -1.52 116.42 121.49 2hff h ASP 61 Ca -0.50 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 2hff h ASP 61 Cb 1.26 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.69 2hff h ASP 61 CO 0.61 0.29 0.00 -1.54 -3.12 0.00 0.00 179.24 175.48 2hff n SER 62 N -4.51 0.16 0.00 6.45 3.41 -1.26 -3.10 113.62 114.77 2hff n SER 62 Ca 0.14 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.30 2hff n SER 62 Cb 0.45 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 2hff n SER 62 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2hff n VAL 63 N -1.68 0.00 -1.75 -3.33 0.31 -0.63 -5.00 118.33 106.26 2hff n VAL 63 Ca 0.03 -0.42 -0.42 0.00 -0.01 0.00 0.00 64.34 63.53 2hff n VAL 63 Cb 0.17 0.93 -0.02 0.00 -0.91 0.00 0.00 33.84 34.02 2hff n VAL 63 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2hff n LYS 64 N -1.02 2.74 0.00 5.55 3.00 -0.88 -1.63 118.16 125.91 2hff n LYS 64 Ca 0.00 0.97 0.00 0.00 -0.00 0.00 0.00 58.31 59.28 2hff n LYS 64 Cb 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 35.03 32.26 2hff n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2hff n GLY 65 N 2.29 1.87 0.14 3.14 0.00 -1.26 -4.67 105.19 106.70 2hff n GLY 65 Ca 0.09 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 2hff n GLY 65 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2hff h ARG 66 N 0.00 0.34 -6.36 1.61 3.08 -1.81 -3.46 114.38 107.78 2hff h ARG 66 Ca 0.00 -0.41 -0.63 0.00 0.07 0.00 0.00 59.98 59.01 2hff h ARG 66 Cb 0.00 0.13 -0.12 0.00 0.08 0.00 0.00 29.97 30.06 2hff h ARG 66 CO 0.00 1.11 -0.66 -0.06 -1.07 0.00 0.00 179.97 179.29 2hff s PHE 67 N -3.09 2.92 -0.06 3.04 0.40 -0.65 -1.66 117.98 118.88 2hff s PHE 67 Ca -0.05 -0.08 -0.01 0.00 -0.60 0.00 0.00 56.93 56.19 2hff s PHE 67 Cb 0.09 -1.46 0.03 0.00 0.51 0.00 0.00 43.02 42.18 2hff s PHE 67 CO 0.87 0.49 0.02 0.99 0.70 0.00 0.00 175.22 178.28 2hff s THR 68 N -1.48 0.21 -0.08 0.64 2.01 -0.27 -4.85 115.64 111.81 2hff s THR 68 Ca 0.26 0.20 -0.12 0.00 0.31 0.00 0.00 61.69 62.34 2hff s THR 68 Cb -0.11 -0.39 -0.05 0.00 0.01 0.00 0.00 72.50 71.97 2hff s THR 68 CO 0.18 0.22 0.29 -0.51 -0.69 0.00 0.00 174.62 174.11 2hff s ILE 69 N 1.86 5.26 0.27 1.82 2.07 -1.26 -0.60 121.20 130.62 2hff s ILE 69 Ca 0.02 0.55 -0.03 0.00 -1.41 0.00 0.00 60.65 59.78 2hff s ILE 69 Cb -0.12 -3.59 -0.02 0.00 0.13 0.00 0.00 42.46 38.86 2hff s ILE 69 CO -0.04 0.54 0.34 -0.94 -1.91 0.00 0.00 174.94 172.93 2hff s SER 70 N -0.66 0.56 -0.01 4.50 1.04 -0.46 -4.99 113.70 113.67 2hff s SER 70 Ca 0.19 -1.37 -0.12 0.00 0.48 0.00 0.00 55.95 55.12 2hff s SER 70 Cb -0.14 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.54 2hff s SER 70 CO 0.08 -1.08 0.26 0.00 0.98 0.00 0.00 173.24 173.48 2hff s ALA 71 N -3.69 -0.65 -0.28 5.32 0.00 -1.26 -0.41 121.76 120.79 2hff s ALA 71 Ca 0.33 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.52 2hff s ALA 71 Cb 0.02 0.05 0.08 0.00 0.00 0.00 0.00 23.12 23.28 2hff s ALA 71 CO 0.16 -0.24 0.01 0.34 0.00 0.00 0.00 175.76 176.04 2hff s ASP 72 N -1.26 4.16 0.55 0.00 -1.08 0.11 -5.00 116.67 114.16 2hff s ASP 72 Ca -0.13 -1.57 0.34 0.00 -0.52 0.00 0.00 52.55 50.67 2hff s ASP 72 Cb -0.06 -1.23 1.43 0.00 -1.46 0.00 0.00 42.92 41.60 2hff s ASP 72 CO 0.03 -0.32 2.00 0.71 0.52 0.00 0.00 175.17 178.12 2hff h THR 73 N 6.61 0.00 0.00 1.71 1.35 -1.93 -0.10 112.91 120.56 2hff h THR 73 Ca -0.13 -0.47 -0.09 0.00 -0.55 0.00 0.00 66.41 65.17 2hff h THR 73 Cb 1.04 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 68.91 2hff h THR 73 CO 0.46 0.00 -0.45 0.77 -0.25 0.00 0.00 175.52 176.05 2hff h SER 74 N 0.00 0.00 -0.02 5.36 4.64 -1.95 -3.16 113.55 118.43 2hff h SER 74 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2hff h SER 74 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2hff h SER 74 CO 0.00 0.45 -0.27 0.29 -0.87 0.00 0.00 176.83 176.43 2hff n LYS 75 N -3.42 1.63 -3.97 4.77 5.02 -0.78 -4.98 118.16 116.42 2hff n LYS 75 Ca 0.00 -1.30 -0.30 0.00 -2.02 0.00 0.00 58.31 54.70 2hff n LYS 75 Cb 0.60 -1.43 0.01 0.00 -0.02 0.00 0.00 35.03 34.20 2hff n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2hff n ASN 76 N 0.46 -3.58 -3.94 4.39 5.15 -0.12 -4.81 115.26 112.82 2hff n ASN 76 Ca 0.10 -0.86 -0.14 0.00 -0.60 0.00 0.00 54.58 53.08 2hff n ASN 76 Cb 0.49 -3.56 -0.14 0.00 -0.53 0.00 0.00 39.78 36.04 2hff n ASN 76 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2hff s THR 77 N -3.41 0.29 0.26 -0.44 2.01 -0.97 -1.88 115.64 111.50 2hff s THR 77 Ca 0.54 -0.20 0.09 0.00 0.31 0.00 0.00 61.69 62.42 2hff s THR 77 Cb -0.28 -0.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.93 2hff s THR 77 CO 0.86 0.05 0.04 0.00 -0.69 0.00 0.00 174.62 174.88 2hff s ALA 78 N -0.16 3.26 0.04 7.40 0.00 -0.38 -0.71 121.76 131.22 2hff s ALA 78 Ca 0.01 -1.58 0.03 0.00 0.00 0.00 0.00 51.96 50.41 2hff s ALA 78 Cb -0.02 -0.91 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 2hff s ALA 78 CO -0.00 0.27 -0.09 0.71 0.00 0.00 0.00 175.76 176.66 2hff s TYR 79 N -2.25 0.74 -0.27 0.00 2.02 0.45 -0.41 117.35 117.64 2hff s TYR 79 Ca 0.32 -0.47 0.01 0.00 -0.37 0.00 0.00 57.07 56.55 2hff s TYR 79 Cb -0.07 -0.44 0.08 0.00 -0.40 0.00 0.00 41.96 41.13 2hff s TYR 79 CO 0.21 -0.06 -0.00 -1.17 -1.57 0.00 0.00 175.55 172.96 2hff s LEU 80 N -1.53 3.00 -0.31 -1.29 2.96 -0.29 -1.36 118.68 119.86 2hff s LEU 80 Ca -0.08 -1.48 -0.26 0.00 -0.22 0.00 0.00 54.13 52.09 2hff s LEU 80 Cb -0.10 -1.22 0.01 0.00 0.50 0.00 0.00 46.19 45.38 2hff s LEU 80 CO 0.01 -0.30 0.90 -1.58 -1.32 0.00 0.00 176.35 174.06 2hff s GLN 81 N 1.32 3.99 -0.17 1.98 2.00 0.23 -0.68 119.66 128.34 2hff s GLN 81 Ca 0.01 0.76 -0.02 0.00 -2.00 0.00 0.00 55.36 54.11 2hff s GLN 81 Cb -0.19 -3.74 -0.01 0.00 0.80 0.00 0.00 33.01 29.88 2hff s GLN 81 CO -0.10 -0.77 -0.09 -1.64 -0.50 0.00 0.00 175.29 172.18 2hff s MET 82 N 3.23 3.39 0.36 1.67 -1.94 0.67 -1.12 119.30 125.57 2hff s MET 82 Ca 0.37 -0.65 0.04 0.00 -1.71 0.00 0.00 55.69 53.74 2hff s MET 82 Cb -0.13 -2.81 -0.05 0.00 2.01 0.00 0.00 34.83 33.85 2hff s MET 82 CO 0.14 0.03 0.06 -0.80 -0.01 0.00 0.00 175.02 174.44 2hff s ASN 82 N 0.84 2.75 -1.54 3.03 0.01 -0.66 -1.04 114.94 118.32 2hff s ASN 82 Ca -0.03 -1.45 -0.07 0.00 -0.71 0.00 0.00 52.86 50.60 2hff s ASN 82 Cb -0.15 0.03 0.06 0.00 0.41 0.00 0.00 41.25 41.60 2hff s ASN 82 CO 0.01 -0.66 0.48 -1.20 -1.51 0.00 0.00 177.10 174.22 2hff n SER 82 N -0.87 -1.17 -4.77 -1.22 7.64 -1.12 -4.71 113.62 107.39 2hff n SER 82 Ca -0.04 -1.06 -0.41 0.00 1.01 0.00 0.00 58.87 58.37 2hff n SER 82 Cb 0.66 -2.69 -0.02 0.00 -1.01 0.00 0.00 64.21 61.15 2hff n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2hff s LEU 82 N -7.14 4.43 0.32 -3.43 1.43 -1.01 -4.66 118.68 108.62 2hff s LEU 82 Ca 0.28 2.66 0.08 0.00 -1.03 0.00 0.00 54.13 56.11 2hff s LEU 82 Cb -0.15 -3.65 -0.06 0.00 0.03 0.00 0.00 46.19 42.35 2hff s LEU 82 CO 0.92 -0.51 -0.06 -0.13 0.23 0.00 0.00 176.35 176.81 2hff s ARG 83 N -1.78 1.70 0.50 1.70 0.52 -1.26 0.34 118.95 120.67 2hff s ARG 83 Ca 0.49 -1.88 0.15 0.00 -0.52 0.00 0.00 55.73 53.96 2hff s ARG 83 Cb -0.39 -1.39 1.19 0.00 0.52 0.00 0.00 34.95 34.88 2hff s ARG 83 CO 0.52 0.05 2.11 0.00 0.02 0.00 0.00 175.30 178.00 2hff h ALA 84 N 2.12 1.99 0.00 2.13 0.00 -1.96 -0.67 119.26 122.87 2hff h ALA 84 Ca -0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2hff h ALA 84 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2hff h ALA 84 CO 0.70 -0.01 0.00 -0.85 0.00 0.00 0.00 179.25 179.09 2hff n GLU 85 N -4.51 0.18 0.00 0.00 0.00 -1.26 -2.10 120.64 112.94 2hff n GLU 85 Ca -0.00 0.40 0.14 0.00 0.00 0.00 0.00 57.16 57.70 2hff n GLU 85 Cb 0.14 -1.83 0.64 0.00 0.00 0.00 0.00 31.44 30.38 2hff n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2hff n ASP 86 N -2.16 0.01 -4.67 -1.84 8.00 -0.26 -4.81 116.55 110.82 2hff n ASP 86 Ca 0.02 0.35 -0.42 0.00 0.71 0.00 0.00 54.79 55.46 2hff n ASP 86 Cb 0.23 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 40.86 2hff n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2hff s THR 87 N -2.91 2.98 -0.19 -3.53 2.01 -0.89 -4.88 115.64 108.21 2hff s THR 87 Ca 0.17 0.15 -0.36 0.00 0.31 0.00 0.00 61.69 61.96 2hff s THR 87 Cb 0.19 -3.09 0.14 0.00 0.01 0.00 0.00 72.50 69.75 2hff s THR 87 CO 0.52 -0.01 1.29 0.00 -0.69 0.00 0.00 174.62 175.73 2hff s ALA 88 N 3.88 -2.16 -0.09 7.40 0.00 -0.60 -4.41 121.76 125.77 2hff s ALA 88 Ca 0.84 1.55 -0.25 0.00 0.00 0.00 0.00 51.96 54.09 2hff s ALA 88 Cb -0.42 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 2hff s ALA 88 CO 0.38 -0.67 0.79 0.08 0.00 0.00 0.00 175.76 176.35 2hff s VAL 89 N -2.27 4.96 -0.18 0.00 1.01 -0.54 -1.04 120.40 122.33 2hff s VAL 89 Ca 0.11 1.62 -0.06 0.00 0.00 0.00 0.00 61.98 63.65 2hff s VAL 89 Cb 0.00 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 2hff s VAL 89 CO -0.04 0.16 0.03 -0.31 0.00 0.00 0.00 175.10 174.94 2hff s TYR 90 N 1.27 3.16 0.02 5.22 1.51 0.01 -0.86 117.35 127.68 2hff s TYR 90 Ca 0.40 -0.11 0.06 0.00 -1.01 0.00 0.00 57.07 56.42 2hff s TYR 90 Cb -0.18 -2.06 -0.03 0.00 -0.11 0.00 0.00 41.96 39.58 2hff s TYR 90 CO 0.18 0.03 -0.17 0.71 -1.11 0.00 0.00 175.55 175.19 2hff s TYR 91 N 0.52 2.59 0.15 2.71 2.02 0.10 -1.28 117.35 124.17 2hff s TYR 91 Ca 0.01 -0.24 0.05 0.00 -0.37 0.00 0.00 57.07 56.52 2hff s TYR 91 Cb -0.13 -1.51 -0.04 0.00 -0.40 0.00 0.00 41.96 39.88 2hff s TYR 91 CO 0.02 0.23 0.12 0.00 -1.57 0.00 0.00 175.55 174.34 2hff s ALA 93 N -1.69 -1.01 -0.14 0.00 0.00 0.10 0.06 121.76 119.08 2hff s ALA 93 Ca 0.30 0.31 -0.08 0.00 0.00 0.00 0.00 51.96 52.49 2hff s ALA 93 Cb -0.10 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 2hff s ALA 93 CO 0.23 -0.46 0.14 0.50 0.00 0.00 0.00 175.76 176.18 2hff s ARG 94 N -2.47 3.67 -0.07 0.00 3.52 -0.29 -0.54 118.95 122.76 2hff s ARG 94 Ca -0.05 -0.14 0.02 0.00 -0.13 0.00 0.00 55.73 55.42 2hff s ARG 94 Cb -0.01 -3.26 -0.03 0.00 -1.56 0.00 0.00 34.95 30.10 2hff s ARG 94 CO -0.02 0.64 -0.12 0.50 -0.81 0.00 0.00 175.30 175.49 2hff s ARG 95 N -0.63 2.78 -0.21 5.12 3.52 -0.82 -2.92 118.95 125.78 2hff s ARG 95 Ca 0.13 -0.65 -0.00 0.00 -0.13 0.00 0.00 55.73 55.09 2hff s ARG 95 Cb -0.12 -2.51 0.05 0.00 -1.56 0.00 0.00 34.95 30.82 2hff s ARG 95 CO 0.03 0.55 -0.04 0.54 -0.81 0.00 0.00 175.30 175.56 2hff s VAL 96 N -0.51 1.31 0.00 7.11 0.11 -1.21 -2.60 120.40 124.61 2hff s VAL 96 Ca 0.07 -0.99 0.00 0.00 -2.93 0.00 0.00 61.98 58.13 2hff s VAL 96 Cb -0.12 -1.58 0.00 0.00 -1.53 0.00 0.00 36.38 33.15 2hff s VAL 96 CO 0.02 -0.05 0.00 0.00 -3.33 0.00 0.00 175.10 171.74 2hff n ALA 100 N -3.00 -0.19 -4.51 0.00 0.00 -1.26 -5.23 120.51 106.33 2hff n ALA 100 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2hff n ALA 100 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2hff n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hff n GLY 100 N 0.00 3.64 3.42 0.00 0.00 -1.26 -5.28 105.19 105.71 2hff n GLY 100 Ca 0.00 -2.27 -0.44 0.00 0.00 0.00 0.00 46.02 43.31 2hff n GLY 100 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2hff s MET 100 N -3.37 3.18 -0.04 1.61 -1.94 -1.26 -3.32 119.30 114.15 2hff s MET 100 Ca 0.04 -1.21 -0.11 0.00 -1.71 0.00 0.00 55.69 52.69 2hff s MET 100 Cb 0.00 -4.36 -0.31 0.00 2.01 0.00 0.00 34.83 32.17 2hff s MET 100 CO 0.03 -1.69 0.70 0.38 -0.01 0.00 0.00 175.02 174.42 2hff h ASP 101 N 9.26 0.63 -3.34 3.03 2.03 -1.94 -3.45 116.42 122.63 2hff h ASP 101 Ca -0.21 -0.92 -0.65 0.00 -0.73 0.00 0.00 57.03 54.53 2hff h ASP 101 Cb 1.07 -0.20 -0.24 0.00 -0.83 0.00 0.00 39.33 39.13 2hff h ASP 101 CO 1.13 1.77 -0.71 -0.31 -1.03 0.00 0.00 179.24 180.09 2hff s TYR 102 N -2.58 2.92 0.01 4.15 2.02 -1.26 -5.03 117.35 117.59 2hff s TYR 102 Ca -0.15 -0.43 0.06 0.00 -0.37 0.00 0.00 57.07 56.18 2hff s TYR 102 Cb 0.05 -1.89 -0.02 0.00 -0.40 0.00 0.00 41.96 39.70 2hff s TYR 102 CO 0.86 -0.09 -0.20 -1.58 -1.57 0.00 0.00 175.55 172.97 2hff s TRP 103 N 0.29 1.73 1.11 2.71 0.52 -1.26 -1.14 118.94 122.90 2hff s TRP 103 Ca -0.06 -0.35 -0.14 0.00 0.02 0.00 0.00 56.10 55.57 2hff s TRP 103 Cb -0.15 -1.08 0.25 0.00 -1.15 0.00 0.00 33.47 31.34 2hff s TRP 103 CO 0.04 0.02 1.06 0.20 0.02 0.00 0.00 176.95 178.29 2hff s GLY 104 N -0.76 1.55 0.34 0.98 0.00 0.11 -4.53 107.32 105.00 2hff s GLY 104 Ca 0.07 -0.39 0.26 0.00 0.00 0.00 0.00 44.72 44.66 2hff s GLY 104 CO 0.00 0.32 1.74 0.06 0.00 0.00 0.00 173.10 175.22 2hff h GLN 105 N -2.33 0.00 0.00 2.90 -0.00 -1.90 -3.44 115.11 110.35 2hff h GLN 105 Ca -0.56 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.09 2hff h GLN 105 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.81 2hff h GLN 105 CO 0.52 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.76 2hff n GLY 106 N 0.88 0.73 2.99 0.06 0.00 -1.26 -5.04 105.19 103.54 2hff n GLY 106 Ca 0.04 -1.47 -0.20 0.00 0.00 0.00 0.00 46.02 44.39 2hff n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2hff s THR 107 N -1.31 0.73 -0.10 2.61 -1.32 -0.40 -4.92 115.64 110.92 2hff s THR 107 Ca 0.00 -0.33 -0.24 0.00 -1.21 0.00 0.00 61.69 59.91 2hff s THR 107 Cb 0.00 -0.66 -0.03 0.00 -1.51 0.00 0.00 72.50 70.31 2hff s THR 107 CO 0.00 0.23 0.77 -0.22 -2.21 0.00 0.00 174.62 173.19 2hff s LEU 108 N 0.23 4.26 -0.21 9.08 0.20 -1.26 -0.81 118.68 130.17 2hff s LEU 108 Ca -0.03 1.20 -0.03 0.00 0.69 0.00 0.00 54.13 55.96 2hff s LEU 108 Cb -0.08 -3.17 -0.00 0.00 -0.43 0.00 0.00 46.19 42.51 2hff s LEU 108 CO 0.00 -0.23 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.06 2hff s VAL 109 N 1.34 3.07 -0.20 1.68 1.01 -0.21 -1.38 120.40 125.72 2hff s VAL 109 Ca 0.39 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 2hff s VAL 109 Cb -0.18 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.83 2hff s VAL 109 CO 0.17 0.45 -0.11 -0.89 0.00 0.00 0.00 175.10 174.71 2hff s THR 110 N 1.43 2.83 -0.39 3.92 2.01 -0.29 -1.57 115.64 123.59 2hff s THR 110 Ca 0.06 -0.68 -0.09 0.00 0.31 0.00 0.00 61.69 61.28 2hff s THR 110 Cb -0.14 -2.25 0.05 0.00 0.01 0.00 0.00 72.50 70.18 2hff s THR 110 CO -0.06 0.48 0.21 -0.69 -0.69 0.00 0.00 174.62 173.87 2hff s VAL 111 N 1.30 4.23 -0.04 3.82 1.01 -1.26 -0.98 120.40 128.48 2hff s VAL 111 Ca 0.04 -1.17 -0.30 0.00 0.00 0.00 0.00 61.98 60.55 2hff s VAL 111 Cb -0.14 -3.47 0.08 0.00 0.00 0.00 0.00 36.38 32.84 2hff s VAL 111 CO -0.06 -0.35 0.71 -0.55 0.00 0.00 0.00 175.10 174.85 2hff s SER 112 N 1.76 -0.62 0.00 3.32 0.15 -0.17 -4.54 113.70 113.60 2hff s SER 112 Ca 0.02 0.61 0.27 0.00 0.70 0.00 0.00 55.95 57.55 2hff s SER 112 Cb -0.21 0.52 0.90 0.00 -1.71 0.00 0.00 66.02 65.52 2hff s SER 112 CO 0.04 -0.62 1.65 -1.54 1.20 0.00 0.00 173.24 173.97 2hff n SER 113 N 0.75 1.16 -4.77 5.45 3.41 -1.26 -4.00 113.62 114.37 2hff n SER 113 Ca -0.18 -1.10 -0.39 0.00 -0.26 0.00 0.00 58.87 56.95 2hff n SER 113 Cb 0.58 0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.57 2hff n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hff s ALA 114 N -2.31 3.22 0.59 7.33 0.00 -1.26 -5.03 121.76 124.30 2hff s ALA 114 Ca 0.30 0.94 -0.13 0.00 0.00 0.00 0.00 51.96 53.07 2hff s ALA 114 Cb 0.20 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.91 2hff s ALA 114 CO 0.45 -0.42 1.02 -1.12 0.00 0.00 0.00 175.76 175.68 2hff s SER 115 N -1.10 6.22 0.47 0.00 0.01 -1.26 -4.99 113.70 113.05 2hff s SER 115 Ca 0.54 1.52 -0.23 0.00 1.31 0.00 0.00 55.95 59.09 2hff s SER 115 Cb -0.30 -2.49 -0.07 0.00 0.21 0.00 0.00 66.02 63.37 2hff s SER 115 CO 0.39 -0.87 1.23 0.42 0.41 0.00 0.00 173.24 174.82 2hff s THR 116 N -2.94 2.81 -0.20 1.44 -4.23 -1.26 -4.73 115.64 106.53 2hff s THR 116 Ca 0.57 0.63 -0.09 0.00 -1.18 0.00 0.00 61.69 61.62 2hff s THR 116 Cb -0.11 -3.33 0.08 0.00 1.34 0.00 0.00 72.50 70.48 2hff s THR 116 CO 0.46 0.01 0.46 -0.75 -0.54 0.00 0.00 174.62 174.26 2hff s LYS 117 N -2.64 0.40 0.59 3.99 2.20 0.27 -4.94 119.74 119.61 2hff s LYS 117 Ca 0.64 0.98 -0.14 0.00 -0.36 0.00 0.00 55.97 57.08 2hff s LYS 117 Cb -0.33 0.20 -0.04 0.00 -1.51 0.00 0.00 37.83 36.15 2hff s LYS 117 CO 0.40 -0.20 1.03 0.20 -0.36 0.00 0.00 175.35 176.42 2hff s GLY 118 N 2.04 1.96 0.55 5.54 0.00 -1.26 -1.23 107.32 114.92 2hff s GLY 118 Ca -0.06 0.20 -0.16 0.00 0.00 0.00 0.00 44.72 44.70 2hff s GLY 118 CO -0.14 0.50 1.01 2.56 0.00 0.00 0.00 173.10 177.03 2hff s PRO 119 N -4.41 3.70 -0.13 2.90 0.04 -1.26 -4.57 135.00 131.27 2hff s PRO 119 Ca 0.60 1.02 -0.11 0.00 0.04 0.00 0.00 61.00 62.55 2hff s PRO 119 Cb -0.13 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 2hff s PRO 119 CO 0.41 -0.48 0.23 -1.12 0.04 0.00 0.00 177.00 176.07 2hff s SER 120 N -3.06 6.44 -0.23 6.66 0.01 -0.51 -4.93 113.70 118.07 2hff s SER 120 Ca 0.60 0.52 -0.03 0.00 1.31 0.00 0.00 55.95 58.35 2hff s SER 120 Cb -0.12 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 63.98 2hff s SER 120 CO 0.35 0.26 -0.04 -0.69 0.41 0.00 0.00 173.24 173.53 2hff s VAL 121 N -0.33 3.27 -0.03 3.43 1.01 -1.26 -0.96 120.40 125.52 2hff s VAL 121 Ca 0.16 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.53 2hff s VAL 121 Cb -0.13 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 2hff s VAL 121 CO 0.04 0.33 -0.19 -0.36 0.00 0.00 0.00 175.10 174.93 2hff s PHE 122 N 1.44 2.56 0.46 5.22 0.08 0.04 -4.95 117.98 122.82 2hff s PHE 122 Ca 0.04 -0.27 -0.22 0.00 0.12 0.00 0.00 56.93 56.61 2hff s PHE 122 Cb -0.15 -1.56 -0.08 0.00 -0.57 0.00 0.00 43.02 40.66 2hff s PHE 122 CO -0.03 0.12 1.08 -1.25 -0.10 0.00 0.00 175.22 175.04 2hff s PRO 123 N -0.78 3.85 -0.55 0.24 0.04 -1.26 0.09 135.00 136.62 2hff s PRO 123 Ca 0.11 1.54 -0.05 0.00 0.04 0.00 0.00 61.00 62.64 2hff s PRO 123 Cb -0.10 -2.30 0.14 0.00 0.04 0.00 0.00 34.50 32.28 2hff s PRO 123 CO 0.01 -0.42 0.39 -0.51 0.04 0.00 0.00 177.00 176.50 2hff s LEU 124 N -3.15 5.48 0.19 -3.56 1.43 0.13 -4.76 118.68 114.46 2hff s LEU 124 Ca 0.64 -2.41 -0.30 0.00 -1.03 0.00 0.00 54.13 51.03 2hff s LEU 124 Cb -0.22 -1.91 -0.08 0.00 0.03 0.00 0.00 46.19 44.00 2hff s LEU 124 CO 0.27 -0.51 1.16 0.00 0.23 0.00 0.00 176.35 177.50 2hff s ALA 125 N 0.60 3.42 1.14 4.21 0.00 -1.26 -1.84 121.76 128.02 2hff s ALA 125 Ca 0.12 0.91 -0.18 0.00 0.00 0.00 0.00 51.96 52.81 2hff s ALA 125 Cb -0.21 -3.39 0.26 0.00 0.00 0.00 0.00 23.12 19.78 2hff s ALA 125 CO -0.03 -0.31 1.15 -1.25 0.00 0.00 0.00 175.76 175.31 2hff s PRO 126 N -0.41 -0.76 0.08 0.00 0.04 -1.26 -4.94 135.00 127.75 2hff s PRO 126 Ca 0.51 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.45 2hff s PRO 126 Cb -0.32 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2hff s PRO 126 CO 0.37 -3.40 0.00 0.45 0.04 0.00 0.00 177.00 174.46 2hff n SER 127 N -4.53 -4.74 0.00 6.66 2.88 -1.26 -4.77 113.62 107.87 2hff n SER 127 Ca 0.13 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 2hff n SER 127 Cb 0.59 -2.60 0.00 0.00 -0.75 0.00 0.00 64.21 61.45 2hff n SER 127 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hff n GLY 134 N 0.75 0.87 3.84 0.46 0.00 -1.26 -5.13 105.19 104.72 2hff n GLY 134 Ca 0.00 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 2hff n GLY 134 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2hff s THR 135 N 0.00 4.78 0.07 2.61 -1.32 -1.26 -0.23 115.64 120.29 2hff s THR 135 Ca 0.00 0.92 0.06 0.00 -1.21 0.00 0.00 61.69 61.45 2hff s THR 135 Cb 0.00 -3.75 -0.03 0.00 -1.51 0.00 0.00 72.50 67.21 2hff s THR 135 CO 0.00 0.19 -0.15 0.00 -2.21 0.00 0.00 174.62 172.44 2hff s ALA 136 N -1.53 1.29 0.01 11.08 0.00 0.43 -4.74 121.76 128.29 2hff s ALA 136 Ca 0.41 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 51.39 2hff s ALA 136 Cb -0.15 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 2hff s ALA 136 CO 0.20 0.21 -0.09 0.00 0.00 0.00 0.00 175.76 176.08 2hff s ALA 137 N -1.17 2.93 0.16 0.00 0.00 -1.26 -0.63 121.76 121.79 2hff s ALA 137 Ca 0.00 -1.04 -0.08 0.00 0.00 0.00 0.00 51.96 50.83 2hff s ALA 137 Cb -0.10 -1.06 -0.01 0.00 0.00 0.00 0.00 23.12 21.95 2hff s ALA 137 CO 0.02 0.60 0.27 -0.48 0.00 0.00 0.00 175.76 176.18 2hff s LEU 138 N -1.38 1.01 0.00 0.00 0.05 -0.72 -4.08 118.68 113.56 2hff s LEU 138 Ca 0.16 -0.89 -0.02 0.00 0.05 0.00 0.00 54.13 53.43 2hff s LEU 138 Cb -0.11 1.14 0.01 0.00 -2.05 0.00 0.00 46.19 45.17 2hff s LEU 138 CO 0.07 -0.88 0.09 0.61 -0.55 0.00 0.00 176.35 175.68 2hff n GLY 139 N -0.21 1.37 3.00 -3.48 0.00 -0.77 -0.87 105.19 104.24 2hff n GLY 139 Ca -0.07 -0.96 -0.21 0.00 0.00 0.00 0.00 46.02 44.78 2hff n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hff s LEU 141 N 0.30 4.30 -0.58 0.00 2.96 0.11 -1.83 118.68 123.95 2hff s LEU 141 Ca -0.05 -0.07 -0.13 0.00 -0.22 0.00 0.00 54.13 53.66 2hff s LEU 141 Cb -0.10 -2.37 0.14 0.00 0.50 0.00 0.00 46.19 44.36 2hff s LEU 141 CO 0.01 -0.29 0.51 -0.69 -1.32 0.00 0.00 176.35 174.56 2hff s VAL 142 N 2.05 4.97 -0.01 1.68 1.01 0.61 -0.78 120.40 129.94 2hff s VAL 142 Ca 0.13 -1.79 0.01 0.00 0.00 0.00 0.00 61.98 60.33 2hff s VAL 142 Cb -0.16 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 2hff s VAL 142 CO 0.11 -0.87 0.01 -0.54 0.00 0.00 0.00 175.10 173.81 2hff s LYS 143 N 1.23 2.82 -0.81 2.72 1.02 -0.14 -1.67 119.74 124.91 2hff s LYS 143 Ca 0.07 -0.59 -0.03 0.00 0.02 0.00 0.00 55.97 55.44 2hff s LYS 143 Cb -0.25 -2.69 -0.03 0.00 -0.52 0.00 0.00 37.83 34.33 2hff s LYS 143 CO -0.00 0.63 0.70 -0.25 -0.92 0.00 0.00 175.35 175.51 2hff n ASP 144 N 1.43 -4.20 -4.49 2.83 8.00 -0.24 -1.42 116.55 118.45 2hff n ASP 144 Ca -0.15 -0.50 -0.24 0.00 0.71 0.00 0.00 54.79 54.61 2hff n ASP 144 Cb 0.53 -3.95 -0.10 0.00 -0.02 0.00 0.00 41.12 37.58 2hff n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2hff s TYR 145 N -3.28 2.29 -0.28 1.24 -0.85 -1.04 -4.37 117.35 111.06 2hff s TYR 145 Ca 0.22 -0.41 -0.24 0.00 -0.52 0.00 0.00 57.07 56.12 2hff s TYR 145 Cb -0.03 -1.11 0.09 0.00 0.38 0.00 0.00 41.96 41.30 2hff s TYR 145 CO 0.54 0.65 0.84 0.12 -1.52 0.00 0.00 175.55 176.18 2hff s PHE 146 N -2.58 -0.69 0.25 -3.49 5.36 -0.36 -0.18 117.98 116.28 2hff s PHE 146 Ca 0.30 1.63 -0.03 0.00 -0.96 0.00 0.00 56.93 57.88 2hff s PHE 146 Cb -0.02 0.33 0.05 0.00 -0.34 0.00 0.00 43.02 43.05 2hff s PHE 146 CO 0.15 -0.33 0.34 -0.35 -1.46 0.00 0.00 175.22 173.57 2hff n PRO 147 N 2.68 -0.10 -1.32 10.12 -0.04 -1.26 -0.57 135.00 144.51 2hff n PRO 147 Ca -0.14 -0.63 -0.31 0.00 -0.04 0.00 0.00 63.50 62.38 2hff n PRO 147 Cb 0.56 -0.31 0.09 0.00 -0.04 0.00 0.00 33.50 33.79 2hff n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2hff s GLU 148 N -3.58 2.28 0.37 0.54 2.02 -1.26 -4.75 118.70 114.32 2hff s GLU 148 Ca 0.20 1.24 0.07 0.00 0.02 0.00 0.00 54.97 56.50 2hff s GLU 148 Cb -0.01 -1.90 -0.01 0.00 0.10 0.00 0.00 34.13 32.31 2hff s GLU 148 CO 0.14 -1.63 0.40 -1.25 0.02 0.00 0.00 175.26 172.94 2hff s PRO 149 N -4.73 2.77 0.08 0.39 0.04 -1.26 -4.97 135.00 127.31 2hff s PRO 149 Ca 0.63 -1.29 0.08 0.00 0.04 0.00 0.00 61.00 60.45 2hff s PRO 149 Cb -0.18 -2.57 -0.04 0.00 0.04 0.00 0.00 34.50 31.75 2hff s PRO 149 CO 0.53 -0.06 -0.17 0.08 0.04 0.00 0.00 177.00 177.43 2hff s VAL 150 N -2.33 2.89 -0.10 -0.36 1.01 -1.26 -4.41 120.40 115.84 2hff s VAL 150 Ca 0.46 -1.32 0.01 0.00 0.00 0.00 0.00 61.98 61.14 2hff s VAL 150 Cb -0.07 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 2hff s VAL 150 CO 0.29 0.22 -0.12 -0.89 0.00 0.00 0.00 175.10 174.60 2hff s THR 151 N -1.05 3.24 -0.07 3.92 2.01 0.11 -4.98 115.64 118.82 2hff s THR 151 Ca 0.17 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.58 2hff s THR 151 Cb -0.11 -2.33 0.00 0.00 0.01 0.00 0.00 72.50 70.08 2hff s THR 151 CO 0.08 0.56 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.69 2hff s VAL 152 N -0.19 1.59 0.24 3.82 1.01 -1.26 -1.04 120.40 124.57 2hff s VAL 152 Ca 0.01 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.26 2hff s VAL 152 Cb -0.13 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 2hff s VAL 152 CO 0.03 0.45 0.01 -0.94 0.00 0.00 0.00 175.10 174.65 2hff s SER 153 N 0.36 1.86 -0.08 3.32 1.04 -0.61 -4.99 113.70 114.60 2hff s SER 153 Ca -0.13 -1.24 0.05 0.00 0.48 0.00 0.00 55.95 55.11 2hff s SER 153 Cb -0.15 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 65.97 2hff s SER 153 CO 0.05 -0.53 -0.24 0.26 0.98 0.00 0.00 173.24 173.76 2hff s TRP 154 N -3.42 2.51 -1.52 5.02 0.52 -1.26 -0.61 118.94 120.18 2hff s TRP 154 Ca 0.30 -0.89 -0.07 0.00 0.02 0.00 0.00 56.10 55.46 2hff s TRP 154 Cb 0.06 -1.66 0.06 0.00 -1.15 0.00 0.00 33.47 30.78 2hff s TRP 154 CO 0.10 -0.32 0.54 0.09 0.02 0.00 0.00 176.95 177.37 2hff n ASN 155 N 3.25 -1.40 -2.95 2.95 3.02 0.51 -0.54 115.26 120.10 2hff n ASN 155 Ca -0.18 -1.01 -0.21 0.00 -0.03 0.00 0.00 54.58 53.14 2hff n ASN 155 Cb 0.52 -2.91 0.02 0.00 -0.61 0.00 0.00 39.78 36.80 2hff n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2hff n SER 156 N -2.87 -5.29 0.00 6.41 7.64 -1.26 -2.29 113.62 115.96 2hff n SER 156 Ca -0.17 -0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.49 2hff n SER 156 Cb 0.62 -4.33 0.00 0.00 -1.01 0.00 0.00 64.21 59.49 2hff n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hff n GLY 157 N -1.29 0.76 0.17 0.23 0.00 0.30 -4.92 105.19 100.43 2hff n GLY 157 Ca -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 2hff n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hff h ALA 158 N 0.00 1.01 -2.82 4.61 0.00 -1.29 -3.42 119.26 117.36 2hff h ALA 158 Ca 0.00 -0.50 -0.68 0.00 0.00 0.00 0.00 54.91 53.73 2hff h ALA 158 Cb 0.00 -0.09 -0.22 0.00 0.00 0.00 0.00 17.79 17.48 2hff h ALA 158 CO 0.00 0.68 -0.53 -1.17 0.00 0.00 0.00 179.25 178.23 2hff s LEU 159 N -7.92 4.36 0.00 0.00 0.20 -1.11 -4.89 118.68 109.32 2hff s LEU 159 Ca -0.03 -0.63 0.00 0.00 0.69 0.00 0.00 54.13 54.16 2hff s LEU 159 Cb 0.13 -2.04 0.00 0.00 -0.43 0.00 0.00 46.19 43.85 2hff s LEU 159 CO 0.77 -0.25 0.00 0.35 -0.29 0.00 0.00 176.35 176.93 2hff n THR 160 N 5.01 0.00 -1.97 3.68 -2.24 -1.26 -4.23 114.28 113.27 2hff n THR 160 Ca -0.13 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 2hff n THR 160 Cb 0.48 -0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 68.23 2hff n THR 160 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2hff s SER 161 N -2.58 6.61 -0.06 3.42 0.15 -1.26 -2.68 113.70 117.31 2hff s SER 161 Ca 0.00 2.63 0.00 0.00 0.70 0.00 0.00 55.95 59.28 2hff s SER 161 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2hff s SER 161 CO 0.00 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.27 2hff n GLY 162 N 3.12 0.43 3.73 9.45 0.00 -1.26 -4.77 105.19 115.89 2hff n GLY 162 Ca 0.11 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2hff n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hff s VAL 163 N -1.82 4.90 -0.21 1.61 1.01 -1.09 -3.09 120.40 121.71 2hff s VAL 163 Ca 0.00 1.54 -0.01 0.00 0.00 0.00 0.00 61.98 63.51 2hff s VAL 163 Cb 0.00 -4.08 0.06 0.00 0.00 0.00 0.00 36.38 32.36 2hff s VAL 163 CO 0.00 0.30 -0.01 -1.00 0.00 0.00 0.00 175.10 174.39 2hff s HIS 164 N 0.40 1.69 -0.26 5.22 3.76 -0.11 -5.01 115.29 120.99 2hff s HIS 164 Ca 0.38 -1.27 -0.09 0.00 -0.15 0.00 0.00 55.06 53.93 2hff s HIS 164 Cb -0.19 -1.30 -0.04 0.00 1.11 0.00 0.00 32.58 32.16 2hff s HIS 164 CO 0.21 -0.68 0.14 -0.08 -0.85 0.00 0.00 174.74 173.47 2hff s THR 165 N 1.63 4.92 0.42 1.30 -1.32 -1.26 -0.46 115.64 120.88 2hff s THR 165 Ca -0.03 0.04 -0.20 0.00 -1.21 0.00 0.00 61.69 60.29 2hff s THR 165 Cb -0.18 -3.32 -0.10 0.00 -1.51 0.00 0.00 72.50 67.39 2hff s THR 165 CO -0.07 0.30 0.92 -0.36 -2.21 0.00 0.00 174.62 173.21 2hff s PHE 166 N 1.56 3.33 0.46 9.09 0.08 -0.32 -5.00 117.98 127.19 2hff s PHE 166 Ca 0.07 1.54 -0.23 0.00 0.12 0.00 0.00 56.93 58.42 2hff s PHE 166 Cb -0.15 -2.80 -0.09 0.00 -0.57 0.00 0.00 43.02 39.41 2hff s PHE 166 CO 0.07 -0.11 1.04 -2.30 -0.10 0.00 0.00 175.22 173.82 2hff n PRO 167 N -0.70 1.34 -2.15 0.24 -0.02 -1.26 -4.65 135.00 127.80 2hff n PRO 167 Ca 0.06 0.49 -0.38 0.00 -2.02 0.00 0.00 63.50 61.65 2hff n PRO 167 Cb 0.54 -2.12 -0.00 0.00 -0.02 0.00 0.00 33.50 31.90 2hff n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hff s ALA 168 N -1.32 2.99 -0.09 3.55 0.00 -1.26 -4.81 121.76 120.81 2hff s ALA 168 Ca 0.66 1.04 0.04 0.00 0.00 0.00 0.00 51.96 53.70 2hff s ALA 168 Cb -0.52 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.18 2hff s ALA 168 CO 0.55 -0.80 -0.23 0.08 0.00 0.00 0.00 175.76 175.36 2hff s VAL 169 N -1.46 1.98 0.07 0.00 1.01 -0.23 -4.94 120.40 116.83 2hff s VAL 169 Ca 0.64 -0.98 -0.31 0.00 0.00 0.00 0.00 61.98 61.33 2hff s VAL 169 Cb -0.32 -1.71 -0.06 0.00 0.00 0.00 0.00 36.38 34.30 2hff s VAL 169 CO 0.39 0.54 1.23 -0.22 0.00 0.00 0.00 175.10 177.04 2hff s LEU 170 N 0.26 4.37 0.62 3.92 2.96 -1.26 -1.45 118.68 128.11 2hff s LEU 170 Ca -0.15 2.07 -0.02 0.00 -0.22 0.00 0.00 54.13 55.81 2hff s LEU 170 Cb -0.17 -3.58 0.05 0.00 0.50 0.00 0.00 46.19 42.99 2hff s LEU 170 CO 0.07 -0.50 0.88 -1.10 -1.32 0.00 0.00 176.35 174.38 2hff s GLN 171 N 1.05 2.35 0.26 1.98 -0.21 -0.62 -4.98 119.66 119.49 2hff s GLN 171 Ca 0.60 -0.62 0.23 0.00 0.02 0.00 0.00 55.36 55.59 2hff s GLN 171 Cb -0.31 -2.36 0.99 0.00 1.00 0.00 0.00 33.01 32.33 2hff s GLN 171 CO 0.29 -0.96 1.69 -1.13 -2.12 0.00 0.00 175.29 173.06 2hff n SER 172 N -2.59 0.63 0.03 5.90 3.41 -1.26 -2.05 113.62 117.68 2hff n SER 172 Ca 0.08 0.67 0.13 0.00 -0.26 0.00 0.00 58.87 59.50 2hff n SER 172 Cb 0.60 -0.80 0.55 0.00 -0.26 0.00 0.00 64.21 64.30 2hff n SER 172 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2hff n SER 173 N -2.21 0.19 0.00 4.04 3.41 -1.26 -4.92 113.62 112.87 2hff n SER 173 Ca 0.02 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 2hff n SER 173 Cb 0.20 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 2hff n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hff n GLY 174 N 1.32 0.73 3.59 5.00 0.00 -0.87 -5.06 105.19 109.90 2hff n GLY 174 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 2hff n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hff s LEU 175 N 0.00 3.12 0.61 0.99 1.43 -1.26 -4.89 118.68 118.68 2hff s LEU 175 Ca 0.00 -0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 52.77 2hff s LEU 175 Cb 0.00 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 2hff s LEU 175 CO 0.00 0.24 0.97 -0.31 0.23 0.00 0.00 176.35 177.48 2hff s TYR 176 N -1.08 3.42 -0.07 0.29 2.02 0.74 -1.59 117.35 121.08 2hff s TYR 176 Ca 0.19 0.95 -0.17 0.00 -0.37 0.00 0.00 57.07 57.66 2hff s TYR 176 Cb -0.11 -2.76 0.04 0.00 -0.40 0.00 0.00 41.96 38.72 2hff s TYR 176 CO 0.10 -0.81 0.41 0.45 -1.57 0.00 0.00 175.55 174.13 2hff s SER 177 N -4.26 -0.34 0.07 2.29 0.15 -0.52 -1.08 113.70 110.00 2hff s SER 177 Ca 0.54 0.43 -0.15 0.00 0.70 0.00 0.00 55.95 57.48 2hff s SER 177 Cb -0.11 0.53 0.02 0.00 -1.71 0.00 0.00 66.02 64.75 2hff s SER 177 CO 0.49 -0.38 0.34 -1.48 1.20 0.00 0.00 173.24 173.41 2hff s LEU 178 N -0.82 0.72 0.09 3.45 0.05 -0.67 -1.07 118.68 120.43 2hff s LEU 178 Ca -0.09 -0.23 0.07 0.00 0.05 0.00 0.00 54.13 53.94 2hff s LEU 178 Cb -0.04 1.52 -0.04 0.00 -2.05 0.00 0.00 46.19 45.58 2hff s LEU 178 CO 0.04 -0.69 -0.14 -0.44 -0.55 0.00 0.00 176.35 174.57 2hff s SER 179 N -2.31 4.14 -0.09 1.48 0.01 -1.26 -0.28 113.70 115.39 2hff s SER 179 Ca -0.02 -0.43 0.03 0.00 1.31 0.00 0.00 55.95 56.85 2hff s SER 179 Cb 0.00 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 65.51 2hff s SER 179 CO -0.06 0.20 -0.21 -0.55 0.41 0.00 0.00 173.24 173.04 2hff s SER 180 N -1.97 2.73 0.22 2.44 0.15 -0.76 -1.17 113.70 115.34 2hff s SER 180 Ca 0.19 -0.49 0.07 0.00 0.70 0.00 0.00 55.95 56.42 2hff s SER 180 Cb -0.11 -1.25 -0.05 0.00 -1.71 0.00 0.00 66.02 62.90 2hff s SER 180 CO 0.10 0.12 -0.11 0.68 1.20 0.00 0.00 173.24 175.24 2hff s VAL 181 N 0.44 1.61 -0.09 4.45 -7.23 0.40 -1.06 120.40 118.91 2hff s VAL 181 Ca -0.18 -2.16 -0.14 0.00 -1.81 0.00 0.00 61.98 57.69 2hff s VAL 181 Cb -0.17 -2.17 0.03 0.00 0.56 0.00 0.00 36.38 34.63 2hff s VAL 181 CO 0.07 -0.50 0.37 0.54 -0.31 0.00 0.00 175.10 175.27 2hff s VAL 182 N -3.05 0.02 -0.14 1.32 0.11 -0.05 -0.93 120.40 117.69 2hff s VAL 182 Ca 0.24 -0.16 -0.06 0.00 -2.93 0.00 0.00 61.98 59.07 2hff s VAL 182 Cb 0.01 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 2hff s VAL 182 CO 0.08 -0.09 0.08 0.42 -3.33 0.00 0.00 175.10 172.26 2hff s THR 183 N -0.38 5.01 0.05 5.04 -4.23 -1.18 -1.75 115.64 118.20 2hff s THR 183 Ca -0.05 0.03 -0.04 0.00 -1.18 0.00 0.00 61.69 60.45 2hff s THR 183 Cb -0.03 -3.19 -0.02 0.00 1.34 0.00 0.00 72.50 70.59 2hff s THR 183 CO 0.02 0.56 0.05 0.68 -0.54 0.00 0.00 174.62 175.39 2hff s VAL 184 N -0.49 0.18 0.21 2.29 -7.23 0.20 -4.79 120.40 110.77 2hff s VAL 184 Ca 0.11 -1.45 -0.32 0.00 -1.81 0.00 0.00 61.98 58.50 2hff s VAL 184 Cb -0.12 -1.27 -0.13 0.00 0.56 0.00 0.00 36.38 35.42 2hff s VAL 184 CO 0.02 -0.80 1.60 -2.65 -0.31 0.00 0.00 175.10 172.95 2hff n PRO 185 N 0.30 2.42 0.28 4.82 -0.02 -1.26 -0.43 135.00 141.10 2hff n PRO 185 Ca -0.16 0.87 0.17 0.00 -2.02 0.00 0.00 63.50 62.36 2hff n PRO 185 Cb 0.60 -2.65 0.72 0.00 -0.02 0.00 0.00 33.50 32.16 2hff n PRO 185 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2hff h SER 186 N 5.67 0.00 0.76 2.55 4.64 -0.90 -1.73 113.55 124.55 2hff h SER 186 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2hff h SER 186 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2hff h SER 186 CO 0.87 0.03 0.00 0.77 -0.87 0.00 0.00 176.83 177.63 2hff h SER 187 N 0.00 0.00 0.32 4.97 4.64 -1.90 -3.00 113.55 118.58 2hff h SER 187 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2hff h SER 187 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2hff h SER 187 CO 0.00 0.00 -0.21 -1.54 -0.87 0.00 0.00 176.83 174.21 2hff n SER 188 N -2.64 0.75 0.28 4.97 3.41 -0.65 -4.20 113.62 115.55 2hff n SER 188 Ca 0.01 -0.69 0.16 0.00 -0.26 0.00 0.00 58.87 58.09 2hff n SER 188 Cb 0.24 0.05 0.82 0.00 -0.26 0.00 0.00 64.21 65.06 2hff n SER 188 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2hff h LEU 189 N 0.86 0.00 -2.69 1.04 3.38 -1.67 -1.50 115.31 114.72 2hff h LEU 189 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2hff h LEU 189 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2hff h LEU 189 CO 0.00 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.20 2hff n GLY 190 N -0.53 2.39 1.45 0.83 0.00 -1.26 -4.67 105.19 103.41 2hff n GLY 190 Ca -0.01 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2hff n GLY 190 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2hff n THR 191 N 1.51 0.70 -2.94 2.61 -2.24 -0.98 -5.07 114.28 107.87 2hff n THR 191 Ca 0.22 0.23 -0.40 0.00 -2.27 0.00 0.00 64.05 61.84 2hff n THR 191 Cb 0.60 -1.12 -0.05 0.00 -2.10 0.00 0.00 70.33 67.66 2hff n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2hff s GLN 192 N -1.98 4.56 0.12 -0.78 0.74 -0.60 -5.06 119.66 116.66 2hff s GLN 192 Ca 0.00 1.17 -0.06 0.00 0.05 0.00 0.00 55.36 56.51 2hff s GLN 192 Cb 0.00 -3.32 -0.06 0.00 1.10 0.00 0.00 33.01 30.73 2hff s GLN 192 CO 0.00 0.40 0.38 0.95 -0.55 0.00 0.00 175.29 176.47 2hff s THR 193 N -0.52 5.15 -0.11 -0.34 -4.23 -1.26 -4.67 115.64 109.66 2hff s THR 193 Ca 0.39 0.15 0.02 0.00 -1.18 0.00 0.00 61.69 61.07 2hff s THR 193 Cb -0.22 -3.62 0.01 0.00 1.34 0.00 0.00 72.50 70.01 2hff s THR 193 CO 0.25 0.11 -0.17 -0.31 -0.54 0.00 0.00 174.62 173.97 2hff s TYR 194 N -1.58 2.10 -0.07 3.99 2.02 -1.26 -4.97 117.35 117.57 2hff s TYR 194 Ca 0.38 -0.98 -0.01 0.00 -0.37 0.00 0.00 57.07 56.10 2hff s TYR 194 Cb -0.13 -1.49 0.03 0.00 -0.40 0.00 0.00 41.96 39.98 2hff s TYR 194 CO 0.22 -0.48 -0.00 0.42 -1.57 0.00 0.00 175.55 174.14 2hff s ILE 195 N 0.88 0.37 -0.11 2.71 1.01 -1.26 -0.38 121.20 124.41 2hff s ILE 195 Ca -0.08 0.11 -0.22 0.00 0.00 0.00 0.00 60.65 60.46 2hff s ILE 195 Cb -0.15 -0.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 2hff s ILE 195 CO -0.00 0.25 0.64 0.00 0.00 0.00 0.00 174.94 175.82 2hff s ASN 197 N 0.87 5.91 -0.14 0.00 -0.87 0.22 -1.82 114.94 119.11 2hff s ASN 197 Ca 0.33 -0.46 -0.02 0.00 -1.57 0.00 0.00 52.86 51.14 2hff s ASN 197 Cb -0.17 -2.10 -0.02 0.00 -0.02 0.00 0.00 41.25 38.94 2hff s ASN 197 CO 0.14 -0.22 -0.07 -0.69 -2.57 0.00 0.00 177.10 173.68 2hff s VAL 198 N 1.69 3.57 -0.09 1.60 1.01 0.11 -1.57 120.40 126.72 2hff s VAL 198 Ca 0.06 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.59 2hff s VAL 198 Cb -0.17 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.68 2hff s VAL 198 CO 0.09 0.51 -0.19 0.21 0.00 0.00 0.00 175.10 175.72 2hff s ASN 199 N 0.26 2.59 -0.46 3.32 3.84 -0.20 -0.83 114.94 123.46 2hff s ASN 199 Ca -0.05 -0.46 0.03 0.00 0.21 0.00 0.00 52.86 52.58 2hff s ASN 199 Cb -0.15 -1.19 0.13 0.00 -0.55 0.00 0.00 41.25 39.50 2hff s ASN 199 CO 0.04 0.11 0.25 -2.28 -2.79 0.00 0.00 177.10 172.42 2hff s HIS 200 N 0.48 2.32 0.17 0.43 5.65 0.67 -0.71 115.29 124.29 2hff s HIS 200 Ca -0.17 -2.64 -0.15 0.00 0.25 0.00 0.00 55.06 52.35 2hff s HIS 200 Cb -0.17 -2.15 0.11 0.00 -1.18 0.00 0.00 32.58 29.19 2hff s HIS 200 CO 0.07 -0.77 1.73 -0.22 -0.65 0.00 0.00 174.74 174.90 2hff h LYS 201 N 6.66 0.24 -0.50 2.88 3.11 -1.79 -1.71 116.57 125.46 2hff h LYS 201 Ca -0.03 -0.01 0.14 0.00 -2.81 0.00 0.00 60.65 57.94 2hff h LYS 201 Cb 0.92 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 32.07 2hff h LYS 201 CO 0.54 0.16 0.37 -1.35 -2.81 0.00 0.00 179.45 176.36 2hff h PRO 202 N 0.25 0.00 -0.22 1.90 0.11 -1.93 0.69 132.00 132.80 2hff h PRO 202 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2hff h PRO 202 Cb 0.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.33 2hff h PRO 202 CO -0.23 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.43 2hff n SER 203 N -4.30 2.86 -3.75 -2.05 3.41 -1.04 -4.97 113.62 103.79 2hff n SER 203 Ca 0.09 -1.84 -0.27 0.00 -0.26 0.00 0.00 58.87 56.59 2hff n SER 203 Cb 0.59 -0.13 0.05 0.00 -0.26 0.00 0.00 64.21 64.46 2hff n SER 203 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2hff n ASN 204 N 1.07 -5.41 -4.59 4.04 5.15 0.23 -4.90 115.26 110.85 2hff n ASN 204 Ca 0.14 -0.66 -0.35 0.00 -0.60 0.00 0.00 54.58 53.11 2hff n ASN 204 Cb 0.48 -4.47 -0.10 0.00 -0.53 0.00 0.00 39.78 35.16 2hff n ASN 204 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2hff s THR 205 N -3.32 4.60 -0.10 -0.44 2.01 -0.69 -5.00 115.64 112.70 2hff s THR 205 Ca 0.59 -0.10 -0.01 0.00 0.31 0.00 0.00 61.69 62.48 2hff s THR 205 Cb -0.28 -3.07 0.03 0.00 0.01 0.00 0.00 72.50 69.19 2hff s THR 205 CO 0.78 0.45 -0.01 -0.75 -0.69 0.00 0.00 174.62 174.41 2hff s LYS 206 N 0.50 0.77 -0.04 4.92 2.20 -1.26 -0.24 119.74 126.58 2hff s LYS 206 Ca 0.02 -0.04 0.02 0.00 -0.36 0.00 0.00 55.97 55.61 2hff s LYS 206 Cb -0.13 -1.26 0.01 0.00 -1.51 0.00 0.00 37.83 34.94 2hff s LYS 206 CO 0.01 -0.35 -0.10 0.08 -0.36 0.00 0.00 175.35 174.63 2hff s VAL 207 N 1.91 0.89 -0.23 4.02 1.01 -0.01 -5.01 120.40 122.98 2hff s VAL 207 Ca 0.04 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 2hff s VAL 207 Cb -0.13 -0.82 0.03 0.00 0.00 0.00 0.00 36.38 35.46 2hff s VAL 207 CO -0.06 0.29 -0.11 -1.81 0.00 0.00 0.00 175.10 173.41 2hff s ASP 208 N 0.48 4.03 -0.21 3.32 1.01 -1.26 0.06 116.67 124.09 2hff s ASP 208 Ca -0.09 -0.89 -0.03 0.00 0.71 0.00 0.00 52.55 52.25 2hff s ASP 208 Cb -0.12 -1.60 -0.00 0.00 1.01 0.00 0.00 42.92 42.20 2hff s ASP 208 CO 0.02 -0.10 -0.07 -0.75 0.21 0.00 0.00 175.17 174.47 2hff s LYS 209 N 1.28 3.32 0.05 8.23 2.47 -0.75 -4.97 119.74 129.37 2hff s LYS 209 Ca -0.00 -0.66 -0.30 0.00 -1.56 0.00 0.00 55.97 53.45 2hff s LYS 209 Cb -0.16 -2.93 -0.05 0.00 -1.46 0.00 0.00 37.83 33.23 2hff s LYS 209 CO -0.07 -0.18 1.10 0.21 0.16 0.00 0.00 175.35 176.57 2hff s LYS 210 N 1.41 4.51 -0.24 4.03 2.20 -1.26 -2.23 119.74 128.16 2hff s LYS 210 Ca 0.05 1.63 -0.06 0.00 -0.36 0.00 0.00 55.97 57.23 2hff s LYS 210 Cb -0.14 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.78 2hff s LYS 210 CO -0.04 -0.13 0.02 0.08 -0.36 0.00 0.00 175.35 174.91 2hff s VAL 211 N 0.87 3.84 0.25 4.02 1.01 0.48 -4.88 120.40 125.99 2hff s VAL 211 Ca 0.55 -0.35 0.09 0.00 0.00 0.00 0.00 61.98 62.27 2hff s VAL 211 Cb -0.26 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 2hff s VAL 211 CO 0.29 0.37 -0.15 -1.61 0.00 0.00 0.00 175.10 174.00 2hff s GLU 212 N 1.54 1.53 0.00 2.72 2.02 -1.26 -4.32 118.70 120.93 2hff s GLU 212 Ca 0.06 -1.71 0.28 0.00 0.02 0.00 0.00 54.97 53.62 2hff s GLU 212 Cb -0.15 -1.42 1.69 0.00 0.10 0.00 0.00 34.13 34.36 2hff s GLU 212 CO 0.00 0.22 2.03 -2.30 0.02 0.00 0.00 175.26 175.23