#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eeh s SER 2 N 0.00 4.31 -0.02 1.61 0.01 -1.26 -5.10 113.70 113.26 2eeh s SER 2 Ca 0.00 0.57 0.01 0.00 1.31 0.00 0.00 55.95 57.83 2eeh s SER 2 Cb 0.00 -1.01 0.01 0.00 0.21 0.00 0.00 66.02 65.24 2eeh s SER 2 CO 0.00 -1.99 -0.01 -0.44 0.41 0.00 0.00 173.24 171.21 2eeh s SER 3 N -4.63 0.32 -0.09 2.44 0.01 -1.26 -5.05 113.70 105.44 2eeh s SER 3 Ca 0.64 -0.03 -0.09 0.00 1.31 0.00 0.00 55.95 57.78 2eeh s SER 3 Cb -0.09 -0.12 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 2eeh s SER 3 CO 0.49 -0.04 -0.20 0.61 0.41 0.00 0.00 173.24 174.51 2eeh n GLY 4 N 3.60 -0.30 5.00 3.44 0.00 -1.26 -4.98 105.19 110.69 2eeh n GLY 4 Ca -0.20 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2eeh n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eeh n SER 5 N -3.94 0.00 -3.74 1.61 2.88 -1.26 -4.66 113.62 104.50 2eeh n SER 5 Ca -0.14 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.36 2eeh n SER 5 Cb 0.41 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.86 2eeh n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2eeh s SER 6 N 0.00 -0.19 0.00 -3.46 0.15 -1.26 -5.15 113.70 103.79 2eeh s SER 6 Ca 0.00 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.26 2eeh s SER 6 Cb 0.00 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 2eeh s SER 6 CO 0.00 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.15 2eeh n GLY 7 N -0.46 -0.53 2.03 9.45 0.00 -1.26 -5.04 105.19 109.38 2eeh n GLY 7 Ca -0.06 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2eeh n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eeh n SER 8 N 0.00 -0.69 -4.62 1.61 2.88 -1.26 -5.05 113.62 106.49 2eeh n SER 8 Ca 0.00 0.46 -0.43 0.00 -1.33 0.00 0.00 58.87 57.57 2eeh n SER 8 Cb 0.00 0.82 -0.02 0.00 -0.75 0.00 0.00 64.21 64.26 2eeh n SER 8 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2eeh s ASP 9 N -4.31 6.26 0.17 -3.46 1.11 -1.26 -4.76 116.67 110.42 2eeh s ASP 9 Ca 0.00 1.34 0.09 0.00 0.18 0.00 0.00 52.55 54.17 2eeh s ASP 9 Cb 0.00 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.42 2eeh s ASP 9 CO 0.00 -1.40 -0.20 -0.63 1.18 0.00 0.00 175.17 174.12 2eeh s ILE 10 N 5.63 1.99 0.24 0.77 1.01 -1.21 -5.01 121.20 124.63 2eeh s ILE 10 Ca 0.70 -1.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.31 2eeh s ILE 10 Cb -0.21 -1.92 -0.08 0.00 0.01 0.00 0.00 42.46 40.26 2eeh s ILE 10 CO 0.31 -0.24 0.58 -0.63 0.00 0.00 0.00 174.94 174.96 2eeh s ILE 11 N -1.88 4.88 0.18 2.92 -1.09 -1.26 -2.92 121.20 122.03 2eeh s ILE 11 Ca 0.17 0.57 0.07 0.00 -2.23 0.00 0.00 60.65 59.23 2eeh s ILE 11 Cb -0.07 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.15 2eeh s ILE 11 CO 0.08 -0.08 0.00 -1.00 -1.23 0.00 0.00 174.94 172.71 2eeh s HIS 12 N -1.84 2.84 -0.06 3.97 3.76 -0.40 -4.95 115.29 118.61 2eeh s HIS 12 Ca 0.48 -0.14 0.05 0.00 -0.15 0.00 0.00 55.06 55.31 2eeh s HIS 12 Cb -0.11 -1.38 -0.01 0.00 1.11 0.00 0.00 32.58 32.19 2eeh s HIS 12 CO 0.20 0.52 -0.23 -1.54 -0.85 0.00 0.00 174.74 172.84 2eeh s SER 13 N -2.96 3.23 -0.00 1.40 1.04 -1.26 -3.60 113.70 111.55 2eeh s SER 13 Ca 0.28 -0.47 -0.09 0.00 0.48 0.00 0.00 55.95 56.15 2eeh s SER 13 Cb -0.09 -0.88 0.01 0.00 0.10 0.00 0.00 66.02 65.16 2eeh s SER 13 CO 0.19 0.25 0.18 0.54 0.98 0.00 0.00 173.24 175.38 2eeh s VAL 14 N -0.20 0.07 -0.25 5.02 0.11 -1.16 -4.91 120.40 119.09 2eeh s VAL 14 Ca -0.02 -0.61 -0.03 0.00 -2.93 0.00 0.00 61.98 58.39 2eeh s VAL 14 Cb -0.13 -0.47 0.08 0.00 -1.53 0.00 0.00 36.38 34.33 2eeh s VAL 14 CO 0.03 -0.33 0.08 -0.13 -3.33 0.00 0.00 175.10 171.42 2eeh s ARG 15 N -1.30 0.53 -0.24 1.54 0.52 -1.23 -3.18 118.95 115.58 2eeh s ARG 15 Ca -0.14 -0.61 -0.17 0.00 -0.52 0.00 0.00 55.73 54.30 2eeh s ARG 15 Cb -0.07 -1.86 -0.03 0.00 0.52 0.00 0.00 34.95 33.51 2eeh s ARG 15 CO 0.02 -0.82 0.46 0.08 0.02 0.00 0.00 175.30 175.06 2eeh s VAL 16 N 1.86 5.12 0.63 3.52 1.01 -1.07 -4.47 120.40 127.00 2eeh s VAL 16 Ca 0.04 0.78 -0.11 0.00 0.00 0.00 0.00 61.98 62.70 2eeh s VAL 16 Cb -0.17 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 2eeh s VAL 16 CO -0.19 0.14 1.02 -0.70 0.00 0.00 0.00 175.10 175.38 2eeh s GLU 17 N 1.99 3.45 0.52 2.72 2.12 -1.26 -3.17 118.70 125.07 2eeh s GLU 17 Ca 0.20 0.64 0.06 0.00 0.36 0.00 0.00 54.97 56.24 2eeh s GLU 17 Cb -0.15 -2.09 0.03 0.00 0.26 0.00 0.00 34.13 32.17 2eeh s GLU 17 CO 0.09 -0.63 0.44 -1.59 -0.54 0.00 0.00 175.26 173.03 2eeh s LYS 18 N -5.18 2.31 0.00 4.30 -2.85 -1.26 -4.92 119.74 112.14 2eeh s LYS 18 Ca 0.55 -1.87 0.00 0.00 -1.00 0.00 0.00 55.97 53.65 2eeh s LYS 18 Cb -0.11 -2.22 0.00 0.00 -2.06 0.00 0.00 37.83 33.44 2eeh s LYS 18 CO 0.53 -0.55 0.00 0.45 0.10 0.00 0.00 175.35 175.88 2eeh n SER 19 N -1.77 0.00 0.09 0.03 2.88 -1.26 -4.95 113.62 108.65 2eeh n SER 19 Ca 0.02 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.50 2eeh n SER 19 Cb 0.63 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.14 2eeh n SER 19 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2eeh h PRO 20 N 0.00 0.12 -6.37 -1.46 0.13 -1.98 -3.48 132.00 118.97 2eeh h PRO 20 Ca 0.00 -0.12 -0.42 0.00 -0.87 0.00 0.00 66.00 64.59 2eeh h PRO 20 Cb 0.00 0.03 0.03 0.00 0.13 0.00 0.00 31.00 31.20 2eeh h PRO 20 CO 0.00 0.84 -0.86 0.00 -0.23 0.00 0.00 178.00 177.75 2eeh n ALA 21 N -2.44 -2.63 0.00 -0.56 0.00 -1.26 -4.94 120.51 108.68 2eeh n ALA 21 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2eeh n ALA 21 Cb 0.74 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.59 2eeh n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2eeh n GLY 22 N -1.76 2.46 2.67 0.00 0.00 -1.26 -5.10 105.19 102.19 2eeh n GLY 22 Ca -0.14 0.27 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 2eeh n GLY 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2eeh n ARG 23 N 0.00 -3.79 -1.34 1.61 0.63 -1.26 -4.87 116.66 107.65 2eeh n ARG 23 Ca 0.00 2.97 -0.38 0.00 -0.92 0.00 0.00 57.85 59.51 2eeh n ARG 23 Cb 0.00 -5.27 0.02 0.00 0.45 0.00 0.00 32.46 27.66 2eeh n ARG 23 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2eeh n LEU 24 N 0.97 -1.69 0.00 6.15 7.99 -1.26 -4.75 117.00 124.40 2eeh n LEU 24 Ca -0.12 0.68 0.04 0.00 -0.01 0.00 0.00 56.01 56.60 2eeh n LEU 24 Cb 0.18 -1.00 0.18 0.00 -0.11 0.00 0.00 43.42 42.67 2eeh n LEU 24 CO 0.43 -4.03 0.61 0.61 -1.51 0.00 0.00 177.39 173.50 2eeh n GLY 25 N 2.19 -0.72 3.29 -0.72 0.00 -1.26 -4.65 105.19 103.32 2eeh n GLY 25 Ca 0.09 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 2eeh n GLY 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2eeh s PHE 26 N -2.90 1.53 -0.12 1.61 -0.71 -1.26 -0.82 117.98 115.31 2eeh s PHE 26 Ca 0.05 -0.58 0.00 0.00 -1.04 0.00 0.00 56.93 55.36 2eeh s PHE 26 Cb 0.05 -0.76 -0.02 0.00 -1.21 0.00 0.00 43.02 41.08 2eeh s PHE 26 CO 0.14 0.22 -0.12 0.45 -1.34 0.00 0.00 175.22 174.57 2eeh s SER 27 N -2.86 4.11 0.07 1.98 0.15 0.12 -4.96 113.70 112.32 2eeh s SER 27 Ca 0.15 -0.28 0.05 0.00 0.70 0.00 0.00 55.95 56.57 2eeh s SER 27 Cb -0.03 -1.52 -0.04 0.00 -1.71 0.00 0.00 66.02 62.73 2eeh s SER 27 CO 0.04 0.20 -0.05 0.68 1.20 0.00 0.00 173.24 175.31 2eeh s VAL 28 N 0.17 3.72 0.32 4.45 -7.23 -1.26 0.10 120.40 120.68 2eeh s VAL 28 Ca -0.07 -1.02 0.04 0.00 -1.81 0.00 0.00 61.98 59.13 2eeh s VAL 28 Cb -0.15 -2.72 -0.06 0.00 0.56 0.00 0.00 36.38 34.00 2eeh s VAL 28 CO 0.05 0.19 0.04 0.00 -0.31 0.00 0.00 175.10 175.06 2eeh s ARG 29 N -2.04 1.66 3.40 4.82 1.70 0.40 -4.72 118.95 124.17 2eeh s ARG 29 Ca 0.22 -1.91 0.00 0.00 -0.47 0.00 0.00 55.73 53.57 2eeh s ARG 29 Cb -0.11 -0.97 0.00 0.00 -0.57 0.00 0.00 34.95 33.30 2eeh s ARG 29 CO 0.14 -0.15 0.00 0.41 -1.08 0.00 0.00 175.30 174.62 2eeh n GLY 30 N -0.69 0.57 2.32 3.88 0.00 -1.26 -2.46 105.19 107.55 2eeh n GLY 30 Ca -0.03 -1.02 -0.03 0.00 0.00 0.00 0.00 46.02 44.94 2eeh n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eeh n GLY 31 N 0.00 -4.45 3.61 -0.02 0.00 -1.24 -4.84 105.19 98.25 2eeh n GLY 31 Ca 0.00 0.94 -0.08 0.00 0.00 0.00 0.00 46.02 46.88 2eeh n GLY 31 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eeh s SER 32 N -0.70 -0.30 -0.17 1.61 0.15 -1.26 -4.60 113.70 108.43 2eeh s SER 32 Ca -0.15 0.41 -0.31 0.00 0.70 0.00 0.00 55.95 56.60 2eeh s SER 32 Cb 0.01 0.36 -0.08 0.00 -1.71 0.00 0.00 66.02 64.60 2eeh s SER 32 CO 0.58 -0.21 2.10 -0.62 1.20 0.00 0.00 173.24 176.29 2eeh n GLU 33 N 1.11 2.00 0.03 5.44 1.02 -1.26 -4.14 120.64 124.82 2eeh n GLU 33 Ca -0.09 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 2eeh n GLU 33 Cb 0.57 -2.92 0.00 0.00 -0.02 0.00 0.00 31.44 29.07 2eeh n GLU 33 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2eeh n HIS 34 N 9.55 -1.97 0.00 -0.32 -0.00 -1.26 -5.07 115.22 116.15 2eeh n HIS 34 Ca 0.29 0.18 0.00 0.00 0.46 0.00 0.00 57.72 58.65 2eeh n HIS 34 Cb 0.37 0.74 0.00 0.00 -0.12 0.00 0.00 29.99 30.98 2eeh n HIS 34 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2eeh n GLY 35 N -1.09 -0.67 3.63 1.57 0.00 -1.26 -5.18 105.19 102.20 2eeh n GLY 35 Ca 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 2eeh n GLY 35 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2eeh s LEU 36 N 0.00 -0.21 0.00 0.99 0.05 -1.26 -5.13 118.68 113.12 2eeh s LEU 36 Ca 0.00 -0.18 0.00 0.00 0.05 0.00 0.00 54.13 54.00 2eeh s LEU 36 Cb 0.00 1.88 0.00 0.00 -2.05 0.00 0.00 46.19 46.02 2eeh s LEU 36 CO 0.00 -0.63 0.00 0.61 -0.55 0.00 0.00 176.35 175.78 2eeh n GLY 37 N -0.36 0.75 3.34 -3.48 0.00 -1.25 -4.26 105.19 99.93 2eeh n GLY 37 Ca -0.07 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 2eeh n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2eeh s ILE 38 N 4.10 2.20 -0.02 -0.61 -1.09 -1.18 -3.70 121.20 120.91 2eeh s ILE 38 Ca 0.00 -1.16 0.07 0.00 -2.23 0.00 0.00 60.65 57.33 2eeh s ILE 38 Cb 0.00 -1.81 -0.02 0.00 -1.58 0.00 0.00 42.46 39.06 2eeh s ILE 38 CO 0.00 0.51 -0.22 -0.36 -1.23 0.00 0.00 174.94 173.64 2eeh s PHE 39 N -0.69 1.99 -0.14 3.97 0.40 -1.03 -1.12 117.98 121.36 2eeh s PHE 39 Ca 0.11 -0.39 -0.29 0.00 -0.60 0.00 0.00 56.93 55.76 2eeh s PHE 39 Cb -0.10 -1.28 -0.01 0.00 0.51 0.00 0.00 43.02 42.14 2eeh s PHE 39 CO 0.00 -0.04 1.08 0.08 0.70 0.00 0.00 175.22 177.04 2eeh s VAL 40 N -0.49 4.61 -0.17 -0.44 1.01 0.10 0.15 120.40 125.16 2eeh s VAL 40 Ca 0.08 1.91 -0.15 0.00 0.00 0.00 0.00 61.98 63.82 2eeh s VAL 40 Cb -0.09 -4.23 -0.11 0.00 0.00 0.00 0.00 36.38 31.96 2eeh s VAL 40 CO -0.01 -0.06 0.02 -1.28 0.00 0.00 0.00 175.10 173.78 2eeh h SER 41 N 7.36 0.00 -5.12 3.32 0.87 0.42 -3.00 113.55 117.39 2eeh h SER 41 Ca -0.28 -0.25 -0.26 0.00 -1.23 0.00 0.00 61.79 59.77 2eeh h SER 41 Cb 1.12 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 62.93 2eeh h SER 41 CO 0.90 1.09 -0.63 -0.75 -0.53 0.00 0.00 176.83 176.91 2eeh s LYS 42 N -2.28 1.16 -0.21 2.24 2.47 -0.90 -4.54 119.74 117.68 2eeh s LYS 42 Ca -0.21 -1.59 -0.04 0.00 -1.56 0.00 0.00 55.97 52.57 2eeh s LYS 42 Cb 0.04 0.05 0.10 0.00 -1.46 0.00 0.00 37.83 36.56 2eeh s LYS 42 CO 0.39 -0.29 0.23 0.08 0.16 0.00 0.00 175.35 175.92 2eeh s VAL 43 N -3.96 -0.34 0.09 4.02 1.01 -1.26 0.16 120.40 120.12 2eeh s VAL 43 Ca 0.32 -0.16 -0.36 0.00 0.00 0.00 0.00 61.98 61.78 2eeh s VAL 43 Cb 0.07 -0.72 -0.17 0.00 0.00 0.00 0.00 36.38 35.56 2eeh s VAL 43 CO 0.08 -0.23 1.20 1.21 0.00 0.00 0.00 175.10 177.36 2eeh n GLU 44 N 5.32 0.84 -1.23 2.72 2.13 -0.00 -4.88 120.64 125.54 2eeh n GLU 44 Ca -0.05 0.30 -0.31 0.00 0.66 0.00 0.00 57.16 57.76 2eeh n GLU 44 Cb 0.49 -1.85 0.10 0.00 0.27 0.00 0.00 31.44 30.44 2eeh n GLU 44 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2eeh s GLU 45 N 0.11 2.15 -0.55 5.31 -1.05 -1.26 -3.09 118.70 120.32 2eeh s GLU 45 Ca 0.82 1.16 -0.02 0.00 -0.15 0.00 0.00 54.97 56.79 2eeh s GLU 45 Cb -1.00 -1.88 0.01 0.00 -0.44 0.00 0.00 34.13 30.82 2eeh s GLU 45 CO 0.51 -1.72 0.06 0.41 0.95 0.00 0.00 175.26 175.47 2eeh n GLY 46 N -1.15 -0.49 4.03 -3.83 0.00 -1.26 -4.90 105.19 97.59 2eeh n GLY 46 Ca 0.09 0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 2eeh n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eeh s SER 47 N -2.11 4.99 0.18 1.61 1.04 -1.18 -5.02 113.70 113.21 2eeh s SER 47 Ca 0.06 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.56 2eeh s SER 47 Cb -0.03 0.43 0.05 0.00 0.10 0.00 0.00 66.02 66.57 2eeh s SER 47 CO 0.08 -1.39 1.42 0.28 0.98 0.00 0.00 173.24 174.61 2eeh h SER 48 N 0.18 0.38 0.54 7.02 0.02 -1.90 -2.86 113.55 116.93 2eeh h SER 48 Ca -0.29 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.36 2eeh h SER 48 Cb 1.29 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 63.72 2eeh h SER 48 CO 0.42 1.02 -0.26 0.00 -1.14 0.00 0.00 176.83 176.86 2eeh h ALA 49 N 0.97 -0.88 -1.30 3.77 0.00 -1.88 1.46 119.26 121.40 2eeh h ALA 49 Ca -0.04 -0.16 0.38 0.00 0.00 0.00 0.00 54.91 55.09 2eeh h ALA 49 Cb 1.36 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 19.38 2eeh h ALA 49 CO 0.13 -0.83 0.93 1.49 0.00 0.00 0.00 179.25 180.97 2eeh h GLU 50 N -0.98 0.03 0.07 0.00 4.81 -1.65 0.99 114.58 117.84 2eeh h GLU 50 Ca -0.07 -0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.85 2eeh h GLU 50 Cb 0.56 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 2eeh h GLU 50 CO 0.12 0.02 -1.67 0.00 -0.73 0.00 0.00 179.01 176.75 2eeh h ARG 51 N 0.03 0.14 0.00 1.92 3.08 -1.29 -3.29 114.38 114.97 2eeh h ARG 51 Ca 0.63 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 60.44 2eeh h ARG 51 Cb 2.46 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 32.60 2eeh h ARG 51 CO -0.04 0.89 -0.02 0.00 -1.07 0.00 0.00 179.97 179.73 2eeh h ALA 52 N 0.63 1.07 0.00 0.04 0.00 0.98 -3.45 119.26 118.53 2eeh h ALA 52 Ca -0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2eeh h ALA 52 Cb 2.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2eeh h ALA 52 CO 0.11 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.79 2eeh n GLY 53 N -0.69 1.67 3.72 0.00 0.00 0.25 -3.52 105.19 106.62 2eeh n GLY 53 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2eeh n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2eeh s LEU 54 N 0.00 4.37 0.00 0.99 2.96 -0.47 -4.95 118.68 121.58 2eeh s LEU 54 Ca 0.00 2.54 0.04 0.00 -0.22 0.00 0.00 54.13 56.49 2eeh s LEU 54 Cb 0.00 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.08 2eeh s LEU 54 CO 0.00 -0.75 0.13 0.00 -1.32 0.00 0.00 176.35 174.41 2eeh s VAL 56 N -2.77 4.70 0.00 0.00 1.01 -1.26 -3.84 120.40 118.24 2eeh s VAL 56 Ca 0.18 0.99 0.00 0.00 0.00 0.00 0.00 61.98 63.15 2eeh s VAL 56 Cb 0.01 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.68 2eeh s VAL 56 CO 0.13 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.86 2eeh n GLY 57 N 0.19 2.92 3.59 4.51 0.00 -1.13 -5.03 105.19 110.24 2eeh n GLY 57 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2eeh n GLY 57 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2eeh n ASP 58 N 0.25 0.08 -3.85 1.61 9.92 -1.25 -4.72 116.55 118.59 2eeh n ASP 58 Ca 0.00 0.60 -0.29 0.00 -0.53 0.00 0.00 54.79 54.57 2eeh n ASP 58 Cb 0.00 -1.38 -0.16 0.00 -0.64 0.00 0.00 41.12 38.94 2eeh n ASP 58 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2eeh s LYS 59 N -3.44 1.19 -0.11 -1.24 2.20 -1.26 -0.73 119.74 116.36 2eeh s LYS 59 Ca 0.70 -0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 55.18 2eeh s LYS 59 Cb -0.32 -2.39 -0.04 0.00 -1.51 0.00 0.00 37.83 33.57 2eeh s LYS 59 CO 0.53 -0.67 1.51 0.42 -0.36 0.00 0.00 175.35 176.78 2eeh s ILE 60 N 1.56 3.85 -0.06 5.43 1.01 -0.27 -3.46 121.20 129.25 2eeh s ILE 60 Ca -0.02 1.02 0.20 0.00 0.00 0.00 0.00 60.65 61.85 2eeh s ILE 60 Cb -0.18 -3.67 -0.30 0.00 0.01 0.00 0.00 42.46 38.31 2eeh s ILE 60 CO -0.09 -0.11 0.38 0.35 0.00 0.00 0.00 174.94 175.47 2eeh n THR 61 N 5.51 0.24 -3.49 2.92 -2.24 -0.50 -3.08 114.28 113.64 2eeh n THR 61 Ca 0.16 -0.53 -0.11 0.00 -2.27 0.00 0.00 64.05 61.30 2eeh n THR 61 Cb 0.44 -0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 2eeh n THR 61 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2eeh s GLU 62 N -3.25 0.94 -0.26 -0.78 2.12 -1.17 -1.80 118.70 114.50 2eeh s GLU 62 Ca -0.08 -0.22 -0.23 0.00 0.36 0.00 0.00 54.97 54.80 2eeh s GLU 62 Cb 0.12 0.44 0.07 0.00 0.26 0.00 0.00 34.13 35.01 2eeh s GLU 62 CO 0.84 -0.39 0.68 0.54 -0.54 0.00 0.00 175.26 176.40 2eeh s VAL 63 N -2.79 -0.00 -1.76 3.70 0.11 -0.48 -0.08 120.40 119.10 2eeh s VAL 63 Ca 0.01 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 2eeh s VAL 63 Cb -0.01 -0.95 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 2eeh s VAL 63 CO -0.06 0.00 0.00 -3.20 -3.33 0.00 0.00 175.10 168.51 2eeh n ASN 64 N 2.80 -4.61 0.00 3.54 2.85 -0.81 -0.95 115.26 118.08 2eeh n ASN 64 Ca -0.14 0.41 0.00 0.00 -0.11 0.00 0.00 54.58 54.74 2eeh n ASN 64 Cb 0.55 -4.08 0.00 0.00 1.24 0.00 0.00 39.78 37.50 2eeh n ASN 64 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2eeh n GLY 65 N -0.27 2.63 3.66 8.20 0.00 -1.26 -5.00 105.19 113.16 2eeh n GLY 65 Ca -0.17 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 2eeh n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2eeh s LEU 66 N 0.00 4.40 0.14 0.99 2.01 -0.13 -4.94 118.68 121.16 2eeh s LEU 66 Ca 0.00 2.55 -0.30 0.00 0.01 0.00 0.00 54.13 56.39 2eeh s LEU 66 Cb 0.00 -3.54 -0.07 0.00 0.01 0.00 0.00 46.19 42.60 2eeh s LEU 66 CO 0.00 -1.01 1.04 -0.55 1.01 0.00 0.00 176.35 176.84 2eeh s SER 67 N 3.90 7.37 -0.56 2.29 0.15 -1.26 -1.38 113.70 124.21 2eeh s SER 67 Ca 0.83 1.95 0.03 0.00 0.70 0.00 0.00 55.95 59.46 2eeh s SER 67 Cb -0.40 -2.60 0.41 0.00 -1.71 0.00 0.00 66.02 61.72 2eeh s SER 67 CO 0.37 -0.16 1.50 0.18 1.20 0.00 0.00 173.24 176.34 2eeh n LEU 68 N 2.61 5.93 -0.35 3.45 4.77 -0.75 -4.55 117.00 128.12 2eeh n LEU 68 Ca 0.03 -4.91 0.11 0.00 -0.03 0.00 0.00 56.01 51.21 2eeh n LEU 68 Cb 0.47 -0.68 0.02 0.00 -2.33 0.00 0.00 43.42 40.91 2eeh n LEU 68 CO 0.53 1.98 0.27 -0.62 -1.33 0.00 0.00 177.39 178.21 2eeh n GLU 69 N -0.60 0.87 -1.06 3.23 1.02 -1.25 -3.32 120.64 119.52 2eeh n GLU 69 Ca 0.47 -0.70 -0.02 0.00 -0.02 0.00 0.00 57.16 56.90 2eeh n GLU 69 Cb 0.60 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.51 2eeh n GLU 69 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2eeh n SER 70 N -0.46 -0.11 -4.70 1.62 3.41 -1.26 -4.10 113.62 108.02 2eeh n SER 70 Ca 0.08 -1.88 -0.23 0.00 -0.26 0.00 0.00 58.87 56.58 2eeh n SER 70 Cb 0.42 0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.32 2eeh n SER 70 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2eeh s THR 71 N 0.00 2.99 0.40 6.66 -1.32 -1.26 -5.11 115.64 118.00 2eeh s THR 71 Ca 0.12 -1.79 -0.02 0.00 -1.21 0.00 0.00 61.69 58.78 2eeh s THR 71 Cb 0.13 -2.92 -0.04 0.00 -1.51 0.00 0.00 72.50 68.17 2eeh s THR 71 CO -0.06 -0.21 0.65 0.42 -2.21 0.00 0.00 174.62 173.21 2eeh s THR 72 N -2.43 5.02 0.13 5.08 -4.23 -1.26 -4.69 115.64 113.25 2eeh s THR 72 Ca 0.36 -0.14 -0.28 0.00 -1.18 0.00 0.00 61.69 60.44 2eeh s THR 72 Cb -0.02 -3.85 -0.05 0.00 1.34 0.00 0.00 72.50 69.91 2eeh s THR 72 CO 0.21 -0.66 1.59 -0.03 -0.54 0.00 0.00 174.62 175.19 2eeh h MET 73 N 0.61 -0.46 -0.01 3.99 4.05 -1.88 -0.94 114.93 120.28 2eeh h MET 73 Ca -0.48 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 2eeh h MET 73 Cb 1.21 0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 32.11 2eeh h MET 73 CO 0.62 -0.31 -0.01 0.78 0.23 0.00 0.00 176.91 178.22 2eeh h GLY 74 N -0.48 -1.85 -0.95 1.39 0.00 -1.97 0.60 103.07 99.82 2eeh h GLY 74 Ca 0.08 0.80 0.09 0.00 0.00 0.00 0.00 47.33 48.29 2eeh h GLY 74 CO -0.37 -0.70 -0.56 1.76 0.00 0.00 0.00 176.54 176.67 2eeh h SER 75 N -0.01 -2.07 -0.67 0.19 0.02 -1.94 1.39 113.55 110.47 2eeh h SER 75 Ca 0.00 0.31 0.14 0.00 -0.84 0.00 0.00 61.79 61.41 2eeh h SER 75 Cb 0.01 0.91 -0.12 0.00 0.14 0.00 0.00 62.40 63.35 2eeh h SER 75 CO -0.01 -0.22 -0.01 0.00 -1.14 0.00 0.00 176.83 175.44 2eeh h ALA 76 N 0.42 0.65 -0.65 3.77 0.00 -0.68 0.37 119.26 123.14 2eeh h ALA 76 Ca 0.15 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 2eeh h ALA 76 Cb 0.39 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2eeh h ALA 76 CO -0.89 -0.40 0.40 0.28 0.00 0.00 0.00 179.25 178.63 2eeh h VAL 77 N 0.10 1.19 -0.17 0.00 2.07 0.61 0.56 116.25 120.61 2eeh h VAL 77 Ca 0.35 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.52 2eeh h VAL 77 Cb 0.59 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2eeh h VAL 77 CO -0.59 0.19 0.47 0.11 0.02 0.00 0.00 177.57 177.77 2eeh h LYS 78 N 0.88 0.00 0.00 1.57 1.57 0.57 1.89 116.57 123.05 2eeh h LYS 78 Ca 0.23 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.82 2eeh h LYS 78 Cb -0.04 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 2eeh h LYS 78 CO -0.04 0.00 -1.97 0.28 -0.57 0.00 0.00 179.45 177.15 2eeh n VAL 79 N -3.13 0.90 0.79 0.50 0.31 0.03 -4.01 118.33 113.72 2eeh n VAL 79 Ca 0.02 -0.70 0.12 0.00 -0.01 0.00 0.00 64.34 63.78 2eeh n VAL 79 Cb 0.56 -0.40 0.31 0.00 -0.91 0.00 0.00 33.84 33.40 2eeh n VAL 79 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2eeh n LEU 80 N -2.64 0.52 -0.12 7.52 4.77 0.45 -4.03 117.00 123.49 2eeh n LEU 80 Ca -0.17 0.25 -0.06 0.00 -0.03 0.00 0.00 56.01 56.00 2eeh n LEU 80 Cb 0.88 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 2eeh n LEU 80 CO 0.44 -0.00 0.69 0.71 -1.33 0.00 0.00 177.39 177.90 2eeh h THR 81 N 0.00 0.35 0.00 -5.08 1.35 0.21 -3.46 112.91 106.28 2eeh h THR 81 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2eeh h THR 81 Cb 0.62 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 2eeh h THR 81 CO 0.00 0.00 0.00 -0.24 -0.25 0.00 0.00 175.52 175.03 2eeh n SER 82 N -5.40 0.00 -0.76 5.36 2.88 -1.26 -4.57 113.62 109.88 2eeh n SER 82 Ca 0.02 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.57 2eeh n SER 82 Cb 0.31 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 2eeh n SER 82 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2eeh n SER 83 N 0.00 0.23 0.00 -3.46 7.64 -1.26 -4.99 113.62 111.78 2eeh n SER 83 Ca 0.00 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 57.93 2eeh n SER 83 Cb 0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 2eeh n SER 83 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2eeh n SER 84 N 0.13 0.00 -3.15 6.43 2.88 -1.26 -4.72 113.62 113.92 2eeh n SER 84 Ca 0.01 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.59 2eeh n SER 84 Cb 0.80 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.26 2eeh n SER 84 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2eeh s ARG 85 N 0.00 0.50 0.08 -1.46 0.52 -1.26 -4.36 118.95 112.97 2eeh s ARG 85 Ca 0.00 0.57 -0.26 0.00 -0.52 0.00 0.00 55.73 55.52 2eeh s ARG 85 Cb 0.00 0.27 -0.06 0.00 0.52 0.00 0.00 34.95 35.68 2eeh s ARG 85 CO 0.00 -0.86 0.80 -0.51 0.02 0.00 0.00 175.30 174.74 2eeh s LEU 86 N 2.85 4.49 -0.50 2.53 1.43 -1.19 -4.94 118.68 123.35 2eeh s LEU 86 Ca 0.13 1.54 0.04 0.00 -1.03 0.00 0.00 54.13 54.82 2eeh s LEU 86 Cb -0.10 -3.30 0.13 0.00 0.03 0.00 0.00 46.19 42.95 2eeh s LEU 86 CO -0.24 0.05 0.26 -2.28 0.23 0.00 0.00 176.35 174.36 2eeh s HIS 87 N -0.30 2.92 0.13 0.29 2.46 -1.26 -2.59 115.29 116.95 2eeh s HIS 87 Ca 0.39 -3.01 -0.14 0.00 0.47 0.00 0.00 55.06 52.77 2eeh s HIS 87 Cb -0.22 -2.61 -0.07 0.00 -0.13 0.00 0.00 32.58 29.55 2eeh s HIS 87 CO 0.25 -0.75 0.53 -1.64 -2.47 0.00 0.00 174.74 170.65 2eeh s MET 88 N -0.16 3.95 -0.18 2.88 -1.94 -1.19 -1.93 119.30 120.73 2eeh s MET 88 Ca 0.17 0.45 0.01 0.00 -1.71 0.00 0.00 55.69 54.61 2eeh s MET 88 Cb -0.26 -2.96 0.04 0.00 2.01 0.00 0.00 34.83 33.67 2eeh s MET 88 CO -0.00 0.50 -0.11 -1.64 -0.01 0.00 0.00 175.02 173.76 2eeh s MET 89 N -1.91 2.04 0.17 2.03 -1.94 0.88 -3.01 119.30 117.56 2eeh s MET 89 Ca 0.37 -0.74 0.04 0.00 -1.71 0.00 0.00 55.69 53.65 2eeh s MET 89 Cb -0.15 -2.29 -0.04 0.00 2.01 0.00 0.00 34.83 34.36 2eeh s MET 89 CO 0.19 -0.38 0.24 0.14 -0.01 0.00 0.00 175.02 175.20 2eeh s VAL 90 N 1.44 4.96 -0.36 -6.03 -7.23 -1.24 -1.42 120.40 110.53 2eeh s VAL 90 Ca 0.01 -0.92 -0.05 0.00 -1.81 0.00 0.00 61.98 59.20 2eeh s VAL 90 Cb -0.15 -3.58 0.06 0.00 0.56 0.00 0.00 36.38 33.27 2eeh s VAL 90 CO -0.09 -0.15 0.14 -0.13 -0.31 0.00 0.00 175.10 174.56 2eeh s ARG 91 N -3.34 2.46 0.34 4.82 0.52 -1.23 -1.28 118.95 121.24 2eeh s ARG 91 Ca 0.33 -1.38 0.07 0.00 -0.52 0.00 0.00 55.73 54.23 2eeh s ARG 91 Cb -0.10 -3.50 -0.01 0.00 0.52 0.00 0.00 34.95 31.86 2eeh s ARG 91 CO 0.27 -0.80 0.42 0.50 0.02 0.00 0.00 175.30 175.71 2eeh s ARG 92 N 1.33 3.01 0.49 3.54 3.52 -1.15 -4.81 118.95 124.88 2eeh s ARG 92 Ca 0.00 -1.09 0.00 0.00 -0.13 0.00 0.00 55.73 54.51 2eeh s ARG 92 Cb -0.21 -2.72 0.00 0.00 -1.56 0.00 0.00 34.95 30.46 2eeh s ARG 92 CO 0.01 0.07 0.00 -1.33 -0.81 0.00 0.00 175.30 173.23 2eeh n MET 93 N -1.57 -4.98 0.00 5.12 2.81 -1.26 -3.33 117.12 113.91 2eeh n MET 93 Ca -0.00 3.66 0.00 0.00 -1.81 0.00 0.00 57.70 59.55 2eeh n MET 93 Cb 0.59 -4.09 0.00 0.00 -0.71 0.00 0.00 33.22 29.01 2eeh n MET 93 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2eeh n GLY 94 N -0.36 0.48 1.58 3.03 0.00 -1.26 -4.21 105.19 104.46 2eeh n GLY 94 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 2eeh n GLY 94 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eeh n SER 95 N 0.00 -7.59 -3.64 1.61 2.88 -1.26 -5.09 113.62 100.53 2eeh n SER 95 Ca 0.00 1.05 -0.05 0.00 -1.33 0.00 0.00 58.87 58.54 2eeh n SER 95 Cb 0.00 -3.92 -0.06 0.00 -0.75 0.00 0.00 64.21 59.48 2eeh n SER 95 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2eeh s GLY 96 N -1.08 0.10 1.08 0.46 0.00 -1.26 -5.14 107.32 101.47 2eeh s GLY 96 Ca 0.00 2.99 -0.18 0.00 0.00 0.00 0.00 44.72 47.52 2eeh s GLY 96 CO 0.00 1.63 1.19 -1.55 0.00 0.00 0.00 173.10 174.37 2eeh n PRO 97 N 1.42 -2.17 0.18 2.90 -0.04 -1.26 -5.03 135.00 130.99 2eeh n PRO 97 Ca -0.09 -1.86 0.00 0.00 -0.04 0.00 0.00 63.50 61.51 2eeh n PRO 97 Cb 0.57 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 2eeh n PRO 97 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2eeh n SER 98 N -4.33 -2.04 -4.58 3.54 2.88 -1.26 -5.14 113.62 102.70 2eeh n SER 98 Ca 0.16 0.65 -0.24 0.00 -1.33 0.00 0.00 58.87 58.11 2eeh n SER 98 Cb 0.57 2.02 -0.09 0.00 -0.75 0.00 0.00 64.21 65.97 2eeh n SER 98 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2eeh s SER 99 N -3.55 4.08 0.00 -3.46 0.01 -1.26 -5.21 113.70 104.31 2eeh s SER 99 Ca 0.00 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.36 2eeh s SER 99 Cb 0.00 -0.55 0.00 0.00 0.21 0.00 0.00 66.02 65.68 2eeh s SER 99 CO 0.00 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.20