#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 4.56 0.21 1.61 1.04 -1.26 -5.02 113.70 114.83 2eeh s SER 2 Ca 0.00 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.10 2eeh s SER 2 Cb 0.00 -1.19 0.00 0.00 0.10 0.00 0.00 66.02 64.93 2eeh s SER 2 CO 0.00 -1.84 0.00 -0.24 0.98 0.00 0.00 173.24 172.14 2eeh n SER 3 N -3.22 -0.07 0.00 7.02 2.88 -1.26 -5.14 113.62 113.84 2eeh n SER 3 Ca 0.08 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 2eeh n SER 3 Cb 0.61 0.27 0.00 0.00 -0.75 0.00 0.00 64.21 64.34 2eeh n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eeh n GLY 4 N 1.64 5.71 1.25 0.46 0.00 -1.26 -5.11 105.19 107.88 2eeh n GLY 4 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 0.00 0.65 -3.66 1.61 2.88 -1.26 -5.15 113.62 108.69 2eeh n SER 5 Ca 0.00 0.17 -0.01 0.00 -1.33 0.00 0.00 58.87 57.70 2eeh n SER 5 Cb 0.00 -0.13 -0.01 0.00 -0.75 0.00 0.00 64.21 63.32 2eeh n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2eeh s SER 6 N -5.61 -0.11 0.00 -3.46 1.04 -1.26 -5.19 113.70 99.11 2eeh s SER 6 Ca 0.00 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.22 2eeh s SER 6 Cb 0.00 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.40 2eeh s SER 6 CO 0.00 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.33 2eeh n GLY 7 N -0.45 2.49 2.45 7.32 0.00 -1.26 -5.04 105.19 110.70 2eeh n GLY 7 Ca -0.07 -1.29 -0.27 0.00 0.00 0.00 0.00 46.02 44.39 2eeh n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eeh n SER 8 N 0.00 3.19 -2.70 1.61 7.64 -1.26 -4.91 113.62 117.19 2eeh n SER 8 Ca 0.00 -3.31 0.02 0.00 1.01 0.00 0.00 58.87 56.59 2eeh n SER 8 Cb 0.00 -0.68 0.01 0.00 -1.01 0.00 0.00 64.21 62.53 2eeh n SER 8 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2eeh s ASP 9 N -2.17 -0.09 0.42 6.43 1.01 -1.26 -4.52 116.67 116.48 2eeh s ASP 9 Ca 0.37 -0.05 -0.10 0.00 0.71 0.00 0.00 52.55 53.49 2eeh s ASP 9 Cb 0.13 0.14 -0.06 0.00 1.01 0.00 0.00 42.92 44.14 2eeh s ASP 9 CO -0.04 -0.01 0.79 -0.63 0.21 0.00 0.00 175.17 175.48 2eeh s ILE 10 N 2.02 4.78 0.01 0.77 1.09 -0.77 -4.82 121.20 124.28 2eeh s ILE 10 Ca 0.15 0.62 -0.08 0.00 -1.10 0.00 0.00 60.65 60.24 2eeh s ILE 10 Cb 0.04 -3.75 -0.05 0.00 -1.06 0.00 0.00 42.46 37.65 2eeh s ILE 10 CO -0.17 -0.57 0.29 -0.63 -0.10 0.00 0.00 174.94 173.76 2eeh s ILE 11 N -2.43 5.26 -0.12 2.92 -1.09 -1.26 -2.23 121.20 122.25 2eeh s ILE 11 Ca 0.51 0.26 -0.02 0.00 -2.23 0.00 0.00 60.65 59.17 2eeh s ILE 11 Cb -0.10 -3.58 -0.03 0.00 -1.58 0.00 0.00 42.46 37.17 2eeh s ILE 11 CO 0.33 0.38 -0.04 -1.00 -1.23 0.00 0.00 174.94 173.38 2eeh s HIS 12 N -1.29 3.01 -0.21 3.97 3.76 -0.80 -4.96 115.29 118.77 2eeh s HIS 12 Ca 0.27 -0.15 -0.12 0.00 -0.15 0.00 0.00 55.06 54.91 2eeh s HIS 12 Cb -0.13 -1.86 -0.05 0.00 1.11 0.00 0.00 32.58 31.65 2eeh s HIS 12 CO 0.16 0.13 0.20 -1.12 -0.85 0.00 0.00 174.74 173.26 2eeh s SER 13 N -0.14 6.23 -0.01 1.40 0.01 -1.26 -3.54 113.70 116.38 2eeh s SER 13 Ca 0.02 0.25 -0.08 0.00 1.31 0.00 0.00 55.95 57.46 2eeh s SER 13 Cb -0.13 -2.13 0.01 0.00 0.21 0.00 0.00 66.02 63.98 2eeh s SER 13 CO 0.03 0.08 0.16 0.54 0.41 0.00 0.00 173.24 174.45 2eeh s VAL 14 N 0.84 0.06 -0.27 3.43 0.11 -1.22 -5.00 120.40 118.35 2eeh s VAL 14 Ca 0.10 -0.53 -0.01 0.00 -2.93 0.00 0.00 61.98 58.61 2eeh s VAL 14 Cb -0.13 -0.41 0.08 0.00 -1.53 0.00 0.00 36.38 34.39 2eeh s VAL 14 CO 0.03 -0.29 0.06 -0.13 -3.33 0.00 0.00 175.10 171.44 2eeh s ARG 15 N -1.08 0.82 0.02 1.54 0.52 -1.26 -3.04 118.95 116.48 2eeh s ARG 15 Ca -0.12 -0.91 -0.16 0.00 -0.52 0.00 0.00 55.73 54.02 2eeh s ARG 15 Cb -0.06 -2.11 -0.06 0.00 0.52 0.00 0.00 34.95 33.24 2eeh s ARG 15 CO 0.02 -0.85 0.46 0.08 0.02 0.00 0.00 175.30 175.02 2eeh s VAL 16 N 1.64 4.94 0.68 3.52 1.01 -1.05 -4.64 120.40 126.49 2eeh s VAL 16 Ca 0.05 0.96 -0.07 0.00 0.00 0.00 0.00 61.98 62.92 2eeh s VAL 16 Cb -0.17 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.47 2eeh s VAL 16 CO -0.18 0.57 1.00 -1.61 0.00 0.00 0.00 175.10 174.88 2eeh s GLU 17 N -1.06 2.49 -0.12 2.72 8.01 -1.26 -2.08 118.70 127.40 2eeh s GLU 17 Ca 0.25 -0.06 -0.29 0.00 0.01 0.00 0.00 54.97 54.88 2eeh s GLU 17 Cb -0.18 -2.17 -0.03 0.00 -4.31 0.00 0.00 34.13 27.45 2eeh s GLU 17 CO 0.15 -1.07 1.39 -1.59 0.01 0.00 0.00 175.26 174.15 2eeh s LYS 18 N -5.21 4.22 0.31 1.61 -2.85 -1.26 -4.92 119.74 111.65 2eeh s LYS 18 Ca 0.58 1.84 -0.08 0.00 -1.00 0.00 0.00 55.97 57.31 2eeh s LYS 18 Cb -0.11 -3.81 -0.06 0.00 -2.06 0.00 0.00 37.83 31.79 2eeh s LYS 18 CO 0.46 -0.73 0.62 -1.54 0.10 0.00 0.00 175.35 174.26 2eeh s SER 19 N 2.36 6.53 0.74 0.03 1.04 -1.26 -5.08 113.70 118.06 2eeh s SER 19 Ca 0.61 0.91 -0.11 0.00 0.48 0.00 0.00 55.95 57.84 2eeh s SER 19 Cb -0.26 -2.22 0.03 0.00 0.10 0.00 0.00 66.02 63.67 2eeh s SER 19 CO 0.20 -0.22 1.08 -2.16 0.98 0.00 0.00 173.24 173.11 2eeh s PRO 20 N -3.43 2.59 -0.71 4.02 0.04 -1.26 -4.83 135.00 131.41 2eeh s PRO 20 Ca 0.47 0.83 -0.35 0.00 0.04 0.00 0.00 61.00 61.99 2eeh s PRO 20 Cb -0.11 -1.96 -0.18 0.00 0.04 0.00 0.00 34.50 32.29 2eeh s PRO 20 CO 0.28 -1.31 2.44 0.00 0.04 0.00 0.00 177.00 178.44 2eeh n ALA 21 N -3.25 0.44 0.00 8.56 0.00 -1.26 -4.25 120.51 120.75 2eeh n ALA 21 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2eeh n ALA 21 Cb 0.55 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 6.73 0.00 1.35 0.00 0.00 -1.26 -5.14 105.19 106.86 2eeh n GLY 22 Ca 0.56 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.75 2eeh n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eeh n ARG 23 N 0.00 -3.02 -1.51 1.61 5.12 -1.26 -4.81 116.66 112.79 2eeh n ARG 23 Ca 0.00 2.37 -0.34 0.00 -1.93 0.00 0.00 57.85 57.94 2eeh n ARG 23 Cb 0.00 -3.56 0.09 0.00 -1.16 0.00 0.00 32.46 27.82 2eeh n ARG 23 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2eeh s LEU 24 N -7.07 3.36 0.28 0.55 2.01 -1.26 -4.82 118.68 111.73 2eeh s LEU 24 Ca 0.00 2.36 0.19 0.00 0.01 0.00 0.00 54.13 56.69 2eeh s LEU 24 Cb 0.00 -4.59 1.03 0.00 0.01 0.00 0.00 46.19 42.64 2eeh s LEU 24 CO 0.00 -2.17 1.59 0.61 1.01 0.00 0.00 176.35 177.39 2eeh n GLY 25 N 0.40 -0.85 3.37 -3.19 0.00 -1.26 -4.59 105.19 99.07 2eeh n GLY 25 Ca 0.13 0.17 -0.23 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.47 1.99 -0.19 1.61 -0.71 -1.26 -0.62 117.98 115.33 2eeh s PHE 26 Ca -0.02 -0.43 -0.05 0.00 -1.04 0.00 0.00 56.93 55.39 2eeh s PHE 26 Cb 0.06 -0.98 -0.03 0.00 -1.21 0.00 0.00 43.02 40.86 2eeh s PHE 26 CO 0.18 0.41 0.00 0.45 -1.34 0.00 0.00 175.22 174.93 2eeh s SER 27 N -2.74 4.97 0.22 1.98 0.15 0.46 -4.95 113.70 113.80 2eeh s SER 27 Ca 0.18 -0.13 0.07 0.00 0.70 0.00 0.00 55.95 56.77 2eeh s SER 27 Cb -0.06 -1.84 -0.04 0.00 -1.71 0.00 0.00 66.02 62.37 2eeh s SER 27 CO 0.08 0.11 0.09 0.68 1.20 0.00 0.00 173.24 175.40 2eeh s VAL 28 N 0.73 4.04 0.28 4.45 -7.23 -1.26 0.91 120.40 122.32 2eeh s VAL 28 Ca 0.00 -1.47 0.08 0.00 -1.81 0.00 0.00 61.98 58.78 2eeh s VAL 28 Cb -0.14 -3.12 -0.06 0.00 0.56 0.00 0.00 36.38 33.62 2eeh s VAL 28 CO 0.02 -0.25 -0.09 0.00 -0.31 0.00 0.00 175.10 174.47 2eeh s ARG 29 N -3.45 1.57 0.00 4.82 1.70 0.92 -4.80 118.95 119.71 2eeh s ARG 29 Ca 0.31 -1.78 0.00 0.00 -0.47 0.00 0.00 55.73 53.79 2eeh s ARG 29 Cb -0.08 -1.29 0.00 0.00 -0.57 0.00 0.00 34.95 33.01 2eeh s ARG 29 CO 0.22 0.10 0.00 0.41 -1.08 0.00 0.00 175.30 174.95 2eeh n GLY 30 N -0.59 -0.57 0.00 3.88 0.00 -1.26 -3.46 105.19 103.19 2eeh n GLY 30 Ca -0.06 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.55 1.31 -0.02 0.00 -1.26 -4.95 105.19 99.71 2eeh n GLY 31 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2eeh n GLY 31 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eeh n SER 32 N 0.00 0.31 -4.26 1.61 7.64 -1.26 -4.36 113.62 113.31 2eeh n SER 32 Ca 0.00 0.11 -0.35 0.00 1.01 0.00 0.00 58.87 59.63 2eeh n SER 32 Cb 0.00 -0.05 0.07 0.00 -1.01 0.00 0.00 64.21 63.22 2eeh n SER 32 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2eeh n GLU 33 N -3.13 -0.05 0.00 1.43 1.02 -1.26 -2.20 120.64 116.44 2eeh n GLU 33 Ca 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2eeh n GLU 33 Cb 0.20 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 2eeh n GLU 33 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2eeh n HIS 34 N -2.81 0.00 -0.31 -0.32 8.25 -1.26 -4.48 115.22 114.29 2eeh n HIS 34 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2eeh n HIS 34 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 2eeh n HIS 34 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2eeh n GLY 35 N 0.00 -0.53 3.57 -1.41 0.00 -0.94 -5.16 105.19 100.73 2eeh n GLY 35 Ca 0.00 -0.71 -0.07 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.24 0.00 0.99 0.05 -1.26 -5.15 118.68 113.07 2eeh s LEU 36 Ca 0.00 0.10 0.00 0.00 0.05 0.00 0.00 54.13 54.28 2eeh s LEU 36 Cb 0.00 1.63 0.00 0.00 -2.05 0.00 0.00 46.19 45.77 2eeh s LEU 36 CO 0.00 -0.33 0.00 0.61 -0.55 0.00 0.00 176.35 176.08 2eeh n GLY 37 N 0.13 -3.08 3.74 -3.48 0.00 -1.26 -4.68 105.19 96.57 2eeh n GLY 37 Ca -0.04 -1.04 -0.37 0.00 0.00 0.00 0.00 46.02 44.57 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 0.00 5.28 -0.00 -0.61 -1.09 -1.17 -4.74 121.20 118.86 2eeh s ILE 38 Ca 0.00 0.60 0.07 0.00 -2.23 0.00 0.00 60.65 59.09 2eeh s ILE 38 Cb 0.00 -3.65 -0.02 0.00 -1.58 0.00 0.00 42.46 37.21 2eeh s ILE 38 CO 0.00 0.40 -0.21 -0.36 -1.23 0.00 0.00 174.94 173.54 2eeh s PHE 39 N 0.34 1.85 0.41 3.97 0.40 -1.22 -0.96 117.98 122.76 2eeh s PHE 39 Ca 0.18 -0.35 -0.23 0.00 -0.60 0.00 0.00 56.93 55.93 2eeh s PHE 39 Cb -0.13 -1.17 -0.09 0.00 0.51 0.00 0.00 43.02 42.13 2eeh s PHE 39 CO 0.05 -0.01 1.02 0.08 0.70 0.00 0.00 175.22 177.06 2eeh s VAL 40 N -0.55 3.89 0.00 -0.44 1.01 0.04 -0.06 120.40 124.30 2eeh s VAL 40 Ca 0.08 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.41 2eeh s VAL 40 Cb -0.08 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2eeh s VAL 40 CO -0.00 -0.08 0.00 -1.54 0.00 0.00 0.00 175.10 173.47 2eeh n SER 41 N -0.29 0.01 -4.14 3.32 3.41 0.26 -4.46 113.62 111.72 2eeh n SER 41 Ca 0.06 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.56 2eeh n SER 41 Cb 0.51 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 2eeh n SER 41 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2eeh s LYS 42 N -2.00 0.76 -0.27 4.33 2.36 -0.70 -4.73 119.74 119.48 2eeh s LYS 42 Ca 0.00 -1.18 -0.04 0.00 -2.55 0.00 0.00 55.97 52.20 2eeh s LYS 42 Cb 0.00 -0.24 0.09 0.00 -1.05 0.00 0.00 37.83 36.63 2eeh s LYS 42 CO 0.00 0.00 0.12 0.08 1.55 0.00 0.00 175.35 177.10 2eeh s VAL 43 N -3.02 0.05 -0.06 4.02 1.01 -1.26 0.18 120.40 121.31 2eeh s VAL 43 Ca 0.06 -0.72 -0.40 0.00 0.00 0.00 0.00 61.98 60.92 2eeh s VAL 43 Cb 0.01 -0.98 -0.19 0.00 0.00 0.00 0.00 36.38 35.22 2eeh s VAL 43 CO -0.03 -0.63 1.20 1.21 0.00 0.00 0.00 175.10 176.85 2eeh n GLU 44 N 5.21 0.22 -0.90 2.72 2.13 0.21 -4.84 120.64 125.39 2eeh n GLU 44 Ca -0.06 0.08 -0.29 0.00 0.66 0.00 0.00 57.16 57.55 2eeh n GLU 44 Cb 0.43 -1.61 0.18 0.00 0.27 0.00 0.00 31.44 30.72 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 0.55 0.44 -0.71 5.31 -1.05 -1.26 -2.99 118.70 118.99 2eeh s GLU 45 Ca 0.92 0.94 -0.09 0.00 -0.15 0.00 0.00 54.97 56.59 2eeh s GLU 45 Cb -1.24 -1.70 0.09 0.00 -0.44 0.00 0.00 34.13 30.83 2eeh s GLU 45 CO 0.59 -2.84 0.22 0.41 0.95 0.00 0.00 175.26 174.59 2eeh n GLY 46 N -0.26 -0.43 3.22 -3.83 0.00 -1.26 -4.86 105.19 97.77 2eeh n GLY 46 Ca 0.06 0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 2eeh n GLY 46 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eeh n SER 47 N -1.73 2.06 0.07 1.61 3.41 -1.16 -5.03 113.62 112.85 2eeh n SER 47 Ca 0.04 -2.41 -0.12 0.00 -0.26 0.00 0.00 58.87 56.12 2eeh n SER 47 Cb 0.45 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 2eeh n SER 47 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2eeh h SER 48 N 0.28 0.49 0.48 4.04 4.64 -1.89 -2.93 113.55 118.65 2eeh h SER 48 Ca -0.25 -0.38 -0.02 0.00 -0.47 0.00 0.00 61.79 60.66 2eeh h SER 48 Cb 1.05 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2eeh h SER 48 CO 0.38 1.18 -0.23 0.00 -0.87 0.00 0.00 176.83 177.29 2eeh h ALA 49 N 0.79 -1.02 -0.99 5.18 0.00 -1.87 1.42 119.26 122.77 2eeh h ALA 49 Ca -0.07 -0.14 0.33 0.00 0.00 0.00 0.00 54.91 55.02 2eeh h ALA 49 Cb 1.55 0.25 -0.15 0.00 0.00 0.00 0.00 17.79 19.43 2eeh h ALA 49 CO 0.16 -0.97 0.52 1.49 0.00 0.00 0.00 179.25 180.45 2eeh h GLU 50 N -0.73 0.26 0.02 0.00 4.81 -1.65 1.14 114.58 118.42 2eeh h GLU 50 Ca -0.07 -0.02 -0.24 0.00 -0.13 0.00 0.00 59.36 58.91 2eeh h GLU 50 Cb 0.49 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2eeh h GLU 50 CO 0.11 0.17 -0.99 0.00 -0.73 0.00 0.00 179.01 177.56 2eeh h ARG 51 N 0.26 0.42 0.00 1.92 3.08 -1.33 -3.02 114.38 115.71 2eeh h ARG 51 Ca 0.73 -0.48 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 2eeh h ARG 51 Cb 1.69 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.88 2eeh h ARG 51 CO -0.64 1.14 -0.05 0.00 -1.07 0.00 0.00 179.97 179.36 2eeh h ALA 52 N 0.69 1.20 0.00 0.04 0.00 1.05 -3.45 119.26 118.78 2eeh h ALA 52 Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2eeh h ALA 52 Cb 1.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2eeh h ALA 52 CO 0.17 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.89 2eeh n GLY 53 N -0.81 1.77 3.71 0.00 0.00 0.80 -4.13 105.19 106.53 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 4.36 0.00 0.99 2.96 -0.47 -4.92 118.68 121.60 2eeh s LEU 54 Ca 0.00 2.38 0.03 0.00 -0.22 0.00 0.00 54.13 56.32 2eeh s LEU 54 Cb 0.00 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.10 2eeh s LEU 54 CO 0.00 -0.73 0.10 0.00 -1.32 0.00 0.00 176.35 174.39 2eeh s VAL 56 N -2.42 4.79 0.00 0.00 1.01 -1.26 -4.21 120.40 118.31 2eeh s VAL 56 Ca 0.14 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.24 2eeh s VAL 56 Cb 0.01 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2eeh s VAL 56 CO 0.10 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.32 2eeh n GLY 57 N 1.59 1.47 3.30 4.51 0.00 -1.26 -5.09 105.19 109.70 2eeh n GLY 57 Ca -0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 2eeh n GLY 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2eeh s ASP 58 N -2.00 2.18 -0.09 1.61 1.01 -1.26 -5.06 116.67 113.06 2eeh s ASP 58 Ca 0.00 -1.00 0.01 0.00 0.71 0.00 0.00 52.55 52.26 2eeh s ASP 58 Cb 0.00 -0.07 0.02 0.00 1.01 0.00 0.00 42.92 43.88 2eeh s ASP 58 CO 0.00 -0.24 -0.08 -0.75 0.21 0.00 0.00 175.17 174.31 2eeh s LYS 59 N -3.63 1.43 -0.44 8.23 2.36 -1.26 -0.78 119.74 125.65 2eeh s LYS 59 Ca 0.19 -0.26 -0.28 0.00 -2.55 0.00 0.00 55.97 53.07 2eeh s LYS 59 Cb 0.00 -1.39 0.03 0.00 -1.05 0.00 0.00 37.83 35.42 2eeh s LYS 59 CO 0.04 -0.15 1.07 0.42 1.55 0.00 0.00 175.35 178.28 2eeh s ILE 60 N 1.28 4.33 -0.22 5.43 1.01 -0.14 -3.46 121.20 129.43 2eeh s ILE 60 Ca -0.04 1.21 0.22 0.00 0.00 0.00 0.00 60.65 62.05 2eeh s ILE 60 Cb -0.14 -4.53 -0.14 0.00 0.01 0.00 0.00 42.46 37.67 2eeh s ILE 60 CO -0.03 -0.87 0.84 0.35 0.00 0.00 0.00 174.94 175.24 2eeh n THR 61 N 6.56 0.34 -3.57 2.92 -2.24 -0.30 -3.53 114.28 114.47 2eeh n THR 61 Ca 0.11 -0.49 -0.15 0.00 -2.27 0.00 0.00 64.05 61.25 2eeh n THR 61 Cb 0.49 -0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.52 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 -3.40 1.03 -0.28 -0.78 2.12 -1.09 -1.96 118.70 114.35 2eeh s GLU 62 Ca -0.03 -0.13 -0.20 0.00 0.36 0.00 0.00 54.97 54.98 2eeh s GLU 62 Cb 0.12 0.47 0.08 0.00 0.26 0.00 0.00 34.13 35.06 2eeh s GLU 62 CO 0.83 -0.36 0.72 0.54 -0.54 0.00 0.00 175.26 176.46 2eeh s VAL 63 N -2.16 0.00 -0.30 3.70 0.11 0.04 0.26 120.40 122.05 2eeh s VAL 63 Ca -0.07 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.98 2eeh s VAL 63 Cb -0.01 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.84 2eeh s VAL 63 CO 0.01 0.00 0.00 -3.20 -3.33 0.00 0.00 175.10 168.58 2eeh n ASN 64 N 3.63 -5.17 0.00 3.54 2.85 -0.62 -1.54 115.26 117.95 2eeh n ASN 64 Ca -0.17 0.07 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 2eeh n ASN 64 Cb 0.57 -2.92 0.00 0.00 1.24 0.00 0.00 39.78 38.68 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 -0.21 3.02 3.74 8.20 0.00 -1.26 -4.98 105.19 113.69 2eeh n GLY 65 Ca -0.03 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 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 4.49 0.15 0.99 1.43 -0.59 -5.01 118.68 120.14 2eeh s LEU 66 Ca 0.00 2.20 -0.20 0.00 -1.03 0.00 0.00 54.13 55.09 2eeh s LEU 66 Cb 0.00 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.53 2eeh s LEU 66 CO 0.00 -0.25 0.66 -0.94 0.23 0.00 0.00 176.35 176.05 2eeh s SER 67 N -0.24 7.11 -0.29 2.29 1.04 -1.26 -0.78 113.70 121.57 2eeh s SER 67 Ca 0.49 1.38 0.08 0.00 0.48 0.00 0.00 55.95 58.38 2eeh s SER 67 Cb -0.31 -2.40 0.45 0.00 0.10 0.00 0.00 66.02 63.86 2eeh s SER 67 CO 0.37 0.17 1.27 0.18 0.98 0.00 0.00 173.24 176.21 2eeh n LEU 68 N 1.28 4.48 0.00 2.42 4.77 -0.83 -4.62 117.00 124.51 2eeh n LEU 68 Ca -0.06 -4.43 0.13 0.00 -0.03 0.00 0.00 56.01 51.61 2eeh n LEU 68 Cb 0.50 -0.45 0.36 0.00 -2.33 0.00 0.00 43.42 41.51 2eeh n LEU 68 CO 0.43 1.83 0.61 -0.62 -1.33 0.00 0.00 177.39 178.31 2eeh n GLU 69 N -0.86 0.02 -2.53 3.23 1.02 -1.26 -3.07 120.64 117.20 2eeh n GLU 69 Ca 0.38 0.01 -0.01 0.00 -0.02 0.00 0.00 57.16 57.51 2eeh n GLU 69 Cb 0.89 -1.51 0.08 0.00 -0.02 0.00 0.00 31.44 30.87 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 -1.54 -0.20 -4.26 1.62 3.41 -1.26 -4.19 113.62 107.20 2eeh n SER 70 Ca 0.06 -2.12 -0.20 0.00 -0.26 0.00 0.00 58.87 56.35 2eeh n SER 70 Cb 0.34 0.18 -0.12 0.00 -0.26 0.00 0.00 64.21 64.36 2eeh n SER 70 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2eeh s THR 71 N -1.30 1.49 0.15 6.66 2.01 -1.26 -5.13 115.64 118.26 2eeh s THR 71 Ca 0.16 -1.65 -0.03 0.00 0.31 0.00 0.00 61.69 60.49 2eeh s THR 71 Cb 0.36 -1.53 0.04 0.00 0.01 0.00 0.00 72.50 71.38 2eeh s THR 71 CO -0.09 -0.28 0.11 1.07 -0.69 0.00 0.00 174.62 174.74 2eeh n THR 72 N 0.74 0.00 -0.06 -0.82 5.66 -1.26 -4.81 114.28 113.72 2eeh n THR 72 Ca -0.17 -0.03 -0.04 0.00 -3.05 0.00 0.00 64.05 60.77 2eeh n THR 72 Cb 0.56 -0.55 -0.01 0.00 -1.55 0.00 0.00 70.33 68.78 2eeh n THR 72 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 2eeh n MET 73 N -2.16 0.37 -0.14 1.09 1.56 -1.26 -4.01 117.12 112.58 2eeh n MET 73 Ca 0.02 0.47 -0.04 0.00 -0.27 0.00 0.00 57.70 57.88 2eeh n MET 73 Cb 0.07 -1.52 -0.03 0.00 2.15 0.00 0.00 33.22 33.88 2eeh n MET 73 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2eeh n GLY 74 N 1.63 -2.65 0.38 -5.12 0.00 -1.26 -0.06 105.19 98.12 2eeh n GLY 74 Ca -0.06 0.74 -0.01 0.00 0.00 0.00 0.00 46.02 46.68 2eeh n GLY 74 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eeh n SER 75 N -3.74 -0.64 0.00 1.61 2.88 -1.26 0.16 113.62 112.63 2eeh n SER 75 Ca 0.01 1.73 -0.09 0.00 -1.33 0.00 0.00 58.87 59.18 2eeh n SER 75 Cb 0.09 -0.40 -0.03 0.00 -0.75 0.00 0.00 64.21 63.12 2eeh n SER 75 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2eeh h ALA 76 N 1.37 -0.12 0.05 -1.46 0.00 -0.61 -0.86 119.26 117.62 2eeh h ALA 76 Ca 0.34 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.32 2eeh h ALA 76 Cb 0.59 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2eeh h ALA 76 CO -0.98 -0.64 -0.18 0.28 0.00 0.00 0.00 179.25 177.73 2eeh h VAL 77 N -0.23 0.59 -0.93 0.00 2.07 0.39 0.21 116.25 118.34 2eeh h VAL 77 Ca 0.09 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.89 2eeh h VAL 77 Cb 0.37 0.59 -0.15 0.00 -1.52 0.00 0.00 31.29 30.57 2eeh h VAL 77 CO -0.25 0.00 0.31 0.50 0.02 0.00 0.00 177.57 178.14 2eeh h LYS 78 N -0.31 0.18 -0.27 1.57 3.64 0.22 1.66 116.57 123.24 2eeh h LYS 78 Ca 0.04 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.24 2eeh h LYS 78 Cb 0.36 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2eeh h LYS 78 CO -0.14 0.12 -0.51 0.28 -2.27 0.00 0.00 179.45 176.93 2eeh h VAL 79 N 0.18 1.29 0.00 2.00 2.07 0.07 -1.97 116.25 119.89 2eeh h VAL 79 Ca 0.63 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 66.44 2eeh h VAL 79 Cb 1.37 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 2eeh h VAL 79 CO -0.70 0.55 0.00 -0.07 0.02 0.00 0.00 177.57 177.38 2eeh h LEU 80 N 0.60 0.00 -2.32 2.57 3.38 0.49 -0.99 115.31 119.05 2eeh h LEU 80 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2eeh h LEU 80 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2eeh h LEU 80 CO 0.11 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.99 2eeh n THR 81 N -2.76 0.49 -3.55 0.22 -2.24 0.41 -4.70 114.28 102.15 2eeh n THR 81 Ca 0.01 -0.74 -0.29 0.00 -2.27 0.00 0.00 64.05 60.75 2eeh n THR 81 Cb 0.25 1.01 -0.13 0.00 -2.10 0.00 0.00 70.33 69.36 2eeh n THR 81 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2eeh s SER 82 N -1.48 3.29 0.00 3.42 0.15 -0.38 -5.03 113.70 113.67 2eeh s SER 82 Ca 0.38 -2.10 0.00 0.00 0.70 0.00 0.00 55.95 54.93 2eeh s SER 82 Cb 0.22 -0.57 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 2eeh s SER 82 CO 0.31 -0.33 0.00 -1.20 1.20 0.00 0.00 173.24 173.22 2eeh n SER 83 N 4.19 0.00 -0.49 5.45 7.64 -1.26 -4.80 113.62 124.35 2eeh n SER 83 Ca 0.07 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.04 2eeh n SER 83 Cb 0.38 0.00 0.31 0.00 -1.01 0.00 0.00 64.21 63.89 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 0.00 1.45 -3.01 6.43 2.88 -1.26 -4.07 113.62 116.04 2eeh n SER 84 Ca 0.00 -1.77 0.02 0.00 -1.33 0.00 0.00 58.87 55.79 2eeh n SER 84 Cb 0.00 -0.12 -0.00 0.00 -0.75 0.00 0.00 64.21 63.33 2eeh n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2eeh s ARG 85 N -1.75 0.46 0.16 -1.46 3.03 -1.26 -4.39 118.95 113.73 2eeh s ARG 85 Ca 0.28 -0.07 -0.20 0.00 2.03 0.00 0.00 55.73 57.77 2eeh s ARG 85 Cb 0.15 0.07 -0.08 0.00 -1.03 0.00 0.00 34.95 34.06 2eeh s ARG 85 CO 0.21 -0.69 0.66 -0.51 -1.13 0.00 0.00 175.30 173.85 2eeh s LEU 86 N 2.08 4.44 -0.50 -1.89 1.43 -0.88 -4.95 118.68 118.41 2eeh s LEU 86 Ca 0.16 1.37 0.03 0.00 -1.03 0.00 0.00 54.13 54.66 2eeh s LEU 86 Cb -0.01 -3.30 0.13 0.00 0.03 0.00 0.00 46.19 43.05 2eeh s LEU 86 CO -0.13 0.14 0.26 -2.28 0.23 0.00 0.00 176.35 174.57 2eeh s HIS 87 N -1.33 2.80 0.19 0.29 2.46 -1.26 -2.54 115.29 115.90 2eeh s HIS 87 Ca 0.37 -2.94 -0.12 0.00 0.47 0.00 0.00 55.06 52.84 2eeh s HIS 87 Cb -0.18 -2.51 -0.07 0.00 -0.13 0.00 0.00 32.58 29.68 2eeh s HIS 87 CO 0.21 -0.75 0.55 -1.64 -2.47 0.00 0.00 174.74 170.64 2eeh s MET 88 N -0.11 3.88 -0.16 2.88 -1.94 -1.17 -1.59 119.30 121.09 2eeh s MET 88 Ca 0.17 0.37 -0.01 0.00 -1.71 0.00 0.00 55.69 54.52 2eeh s MET 88 Cb -0.25 -2.78 0.04 0.00 2.01 0.00 0.00 34.83 33.85 2eeh s MET 88 CO -0.00 0.39 -0.04 -1.64 -0.01 0.00 0.00 175.02 173.72 2eeh s MET 89 N -2.41 1.30 0.22 2.03 -1.94 0.14 -3.44 119.30 115.20 2eeh s MET 89 Ca 0.43 -0.43 0.05 0.00 -1.71 0.00 0.00 55.69 54.03 2eeh s MET 89 Cb -0.13 -1.89 -0.03 0.00 2.01 0.00 0.00 34.83 34.79 2eeh s MET 89 CO 0.20 -0.43 0.27 0.14 -0.01 0.00 0.00 175.02 175.20 2eeh s VAL 90 N 1.69 4.94 -0.34 -6.03 -7.23 -1.23 -1.14 120.40 111.05 2eeh s VAL 90 Ca 0.01 -1.07 0.01 0.00 -1.81 0.00 0.00 61.98 59.12 2eeh s VAL 90 Cb -0.15 -3.63 0.09 0.00 0.56 0.00 0.00 36.38 33.24 2eeh s VAL 90 CO -0.08 -0.27 0.05 -0.13 -0.31 0.00 0.00 175.10 174.37 2eeh s ARG 91 N -3.70 1.93 -0.04 4.82 0.52 -1.23 -1.91 118.95 119.34 2eeh s ARG 91 Ca 0.33 -1.65 0.05 0.00 -0.52 0.00 0.00 55.73 53.94 2eeh s ARG 91 Cb -0.09 -3.24 -0.02 0.00 0.52 0.00 0.00 34.95 32.11 2eeh s ARG 91 CO 0.27 -0.85 -0.19 0.50 0.02 0.00 0.00 175.30 175.05 2eeh s ARG 92 N 1.06 2.40 0.44 3.54 3.52 -0.95 -4.82 118.95 124.16 2eeh s ARG 92 Ca 0.04 -0.79 0.08 0.00 -0.13 0.00 0.00 55.73 54.92 2eeh s ARG 92 Cb -0.20 -2.26 -0.01 0.00 -1.56 0.00 0.00 34.95 30.92 2eeh s ARG 92 CO -0.05 0.57 0.41 0.00 -0.81 0.00 0.00 175.30 175.42 2eeh s MET 93 N -0.61 2.50 -1.32 5.12 0.23 -1.26 -1.85 119.30 122.11 2eeh s MET 93 Ca 0.09 -1.58 -0.16 0.00 -1.03 0.00 0.00 55.69 53.01 2eeh s MET 93 Cb -0.11 -2.38 0.01 0.00 -1.53 0.00 0.00 34.83 30.83 2eeh s MET 93 CO 0.00 -0.28 2.07 0.41 -2.03 0.00 0.00 175.02 175.20 2eeh n GLY 94 N -1.62 3.62 3.43 3.16 0.00 -1.26 -4.88 105.19 107.65 2eeh n GLY 94 Ca 0.04 -1.48 -0.21 0.00 0.00 0.00 0.00 46.02 44.37 2eeh n GLY 94 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eeh s SER 95 N 3.81 2.33 0.65 1.61 0.01 -1.26 -5.15 113.70 115.69 2eeh s SER 95 Ca 0.51 -1.34 0.00 0.00 1.31 0.00 0.00 55.95 56.42 2eeh s SER 95 Cb 0.11 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.27 2eeh s SER 95 CO -0.01 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.67 2eeh n GLY 96 N -0.64 -2.95 0.10 3.44 0.00 -1.26 -4.95 105.19 98.92 2eeh n GLY 96 Ca -0.03 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 2eeh n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eeh h PRO 97 N 0.00 -0.12 0.00 1.61 0.13 -2.01 -3.49 132.00 128.13 2eeh h PRO 97 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2eeh h PRO 97 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 2eeh h PRO 97 CO 0.00 0.40 0.00 0.45 -0.23 0.00 0.00 178.00 178.62 2eeh n SER 98 N -4.83 -1.04 -4.44 1.44 2.88 -1.26 -5.08 113.62 101.28 2eeh n SER 98 Ca -0.07 0.43 -0.22 0.00 -1.33 0.00 0.00 58.87 57.67 2eeh n SER 98 Cb 0.28 1.23 -0.10 0.00 -0.75 0.00 0.00 64.21 64.87 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 -2.00 3.12 0.00 -3.46 0.01 -1.26 -5.26 113.70 104.85 2eeh s SER 99 Ca 0.00 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.14 2eeh s SER 99 Cb 0.00 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.00 2eeh s SER 99 CO 0.00 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.07